#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g98 h ALA 2 N 0.00 1.00 0.05 0.00 0.00 -1.95 -3.33 119.26 115.03 1g98 h ALA 2 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1g98 h ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1g98 h ALA 2 CO 0.00 0.00 -0.02 1.25 0.00 0.00 0.00 179.25 180.48 1g98 h LEU 3 N 0.00 -0.06 -1.62 0.00 5.85 -1.89 -3.29 115.31 114.30 1g98 h LEU 3 Ca 0.00 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1g98 h LEU 3 Cb 0.26 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1g98 h LEU 3 CO 0.00 0.49 0.00 0.74 -0.34 0.00 0.00 178.44 179.33 1g98 h THR 4 N -1.01 0.00 -0.03 1.05 2.02 -1.97 -0.15 112.91 112.82 1g98 h THR 4 Ca -0.01 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1g98 h THR 4 Cb 0.17 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1g98 h THR 4 CO 0.01 0.00 -0.13 0.54 0.37 0.00 0.00 175.52 176.31 1g98 n ARG 5 N -2.53 2.03 -2.47 6.66 1.74 -1.26 -4.71 116.66 116.13 1g98 n ARG 5 Ca -0.01 -1.68 -0.43 0.00 -0.77 0.00 0.00 57.85 54.97 1g98 n ARG 5 Cb 0.11 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.06 1g98 n ARG 5 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1g98 s ASN 6 N -2.13 7.02 0.22 0.55 3.84 -0.07 -4.94 114.94 119.43 1g98 s ASN 6 Ca 0.25 1.74 -0.09 0.00 0.21 0.00 0.00 52.86 54.98 1g98 s ASN 6 Cb 0.19 -2.55 0.35 0.00 -0.55 0.00 0.00 41.25 38.69 1g98 s ASN 6 CO 0.37 -0.64 1.68 -0.65 -2.79 0.00 0.00 177.10 175.07 1g98 h PRO 7 N 7.70 0.20 -0.24 0.43 0.11 -1.91 0.04 132.00 138.33 1g98 h PRO 7 Ca -0.31 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.74 1g98 h PRO 7 Cb 1.14 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1g98 h PRO 7 CO 0.91 0.14 -0.08 1.96 -0.21 0.00 0.00 178.00 180.72 1g98 h GLN 8 N 0.21 0.38 -0.19 1.05 7.50 -1.94 -0.02 115.11 122.10 1g98 h GLN 8 Ca 0.35 -0.09 -0.15 0.00 0.50 0.00 0.00 58.65 59.26 1g98 h GLN 8 Cb 0.56 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.04 1g98 h GLN 8 CO -0.48 0.47 -0.47 0.35 -1.50 0.00 0.00 178.83 177.20 1g98 h PHE 9 N 0.36 0.84 -0.45 2.96 3.57 -1.45 -2.18 116.94 120.59 1g98 h PHE 9 Ca 0.07 -0.32 -0.07 0.00 3.53 0.00 0.00 57.97 61.18 1g98 h PHE 9 Cb 0.37 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1g98 h PHE 9 CO 0.01 1.10 -0.01 1.96 -2.23 0.00 0.00 178.31 179.14 1g98 h GLN 10 N 0.34 0.74 -0.43 1.11 4.20 -0.70 -1.31 115.11 119.07 1g98 h GLN 10 Ca -0.01 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.48 1g98 h GLN 10 Cb 1.09 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 1g98 h GLN 10 CO 0.10 0.76 0.16 -0.22 -0.67 0.00 0.00 178.83 178.96 1g98 h LYS 11 N 0.69 0.66 -0.28 1.46 3.64 -0.96 0.03 116.57 121.81 1g98 h LYS 11 Ca 0.14 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1g98 h LYS 11 Cb 0.44 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1g98 h LYS 11 CO 0.02 0.62 0.16 1.25 -2.27 0.00 0.00 179.45 179.23 1g98 h LEU 12 N 0.56 0.35 -0.80 5.20 5.85 -1.02 -0.79 115.31 124.66 1g98 h LEU 12 Ca 0.14 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1g98 h LEU 12 Cb 0.22 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1g98 h LEU 12 CO -0.01 0.33 0.14 1.56 -0.34 0.00 0.00 178.44 180.12 1g98 h GLN 13 N 0.35 1.05 -0.26 1.25 4.20 -1.06 -1.28 115.11 119.36 1g98 h GLN 13 Ca 0.10 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 1g98 h GLN 13 Cb 0.05 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1g98 h GLN 13 CO -0.02 0.94 0.14 0.37 -0.67 0.00 0.00 178.83 179.59 1g98 h GLN 14 N 0.99 0.36 -0.52 1.46 5.75 -0.73 -1.70 115.11 120.72 1g98 h GLN 14 Ca 0.21 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.66 1g98 h GLN 14 Cb 0.37 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.83 1g98 h GLN 14 CO 0.00 0.33 0.31 2.35 -2.65 0.00 0.00 178.83 179.17 1g98 h TRP 15 N 0.30 0.70 -0.63 3.99 7.01 -0.91 -2.92 115.95 123.49 1g98 h TRP 15 Ca 0.09 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.05 1g98 h TRP 15 Cb 0.08 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 26.88 1g98 h TRP 15 CO -0.03 0.49 0.25 1.25 -2.79 0.00 0.00 178.44 177.61 1g98 h HIS 16 N 0.70 0.97 0.00 2.65 2.76 -1.05 0.65 115.15 121.84 1g98 h HIS 16 Ca 0.19 -0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 1g98 h HIS 16 Cb 0.01 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 28.68 1g98 h HIS 16 CO -0.02 0.77 -0.05 0.07 -1.30 0.00 0.00 177.93 177.40 1g98 h ARG 17 N 0.89 0.00 0.00 5.26 0.11 -1.19 0.83 114.38 120.28 1g98 h ARG 17 Ca 0.21 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.94 1g98 h ARG 17 Cb 0.21 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.23 1g98 h ARG 17 CO -0.02 0.05 -2.19 0.39 0.10 0.00 0.00 179.97 178.30 1g98 n GLU 18 N -3.28 0.67 0.00 0.08 1.02 -0.92 -4.73 120.64 113.50 1g98 n GLU 18 Ca -0.01 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1g98 n GLU 18 Cb 0.22 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 1g98 n GLU 18 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1g98 n HIS 19 N -2.85 0.00 -0.33 -0.32 8.25 0.18 -4.90 115.22 115.25 1g98 n HIS 19 Ca -0.29 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.11 1g98 n HIS 19 Cb 1.12 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.20 1g98 n HIS 19 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1g98 h GLY 20 N 0.00 -0.41 2.00 -1.41 0.00 0.60 -1.25 103.07 102.60 1g98 h GLY 20 Ca 0.00 0.62 -0.05 0.00 0.00 0.00 0.00 47.33 47.90 1g98 h GLY 20 CO 0.00 -0.11 -0.24 1.48 0.00 0.00 0.00 176.54 177.67 1g98 h SER 21 N -0.09 0.00 0.37 0.19 4.64 -1.91 -3.03 113.55 113.72 1g98 h SER 21 Ca 0.23 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.46 1g98 h SER 21 Cb 0.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1g98 h SER 21 CO -0.86 0.24 -0.38 -0.08 -0.87 0.00 0.00 176.83 174.88 1g98 h GLU 22 N 0.00 0.02 -6.41 4.77 4.81 -1.57 -3.44 114.58 112.75 1g98 h GLU 22 Ca -0.00 -0.01 -0.59 0.00 -0.13 0.00 0.00 59.36 58.62 1g98 h GLU 22 Cb 0.45 -0.00 0.04 0.00 0.63 0.00 0.00 28.75 29.87 1g98 h GLU 22 CO 0.03 0.41 0.93 1.28 -0.73 0.00 0.00 179.01 180.92 1g98 n LEU 23 N -4.08 3.26 -3.83 1.64 4.77 -1.14 -4.97 117.00 112.65 1g98 n LEU 23 Ca -0.02 1.04 -0.26 0.00 -0.03 0.00 0.00 56.01 56.74 1g98 n LEU 23 Cb 0.42 -1.41 -0.17 0.00 -2.33 0.00 0.00 43.42 39.93 1g98 n LEU 23 CO 0.39 -0.18 -0.41 0.21 -1.33 0.00 0.00 177.39 176.07 1g98 s ASN 24 N 2.22 2.19 0.14 -1.43 3.84 -1.26 -5.05 114.94 115.58 1g98 s ASN 24 Ca 0.84 -0.36 -0.21 0.00 0.21 0.00 0.00 52.86 53.34 1g98 s ASN 24 Cb -0.68 -0.68 -0.00 0.00 -0.55 0.00 0.00 41.25 39.34 1g98 s ASN 24 CO 0.43 -0.18 1.67 -0.07 -2.79 0.00 0.00 177.10 176.16 1g98 h LEU 25 N 8.23 -0.44 -1.22 3.21 3.38 -1.91 -0.36 115.31 126.21 1g98 h LEU 25 Ca -0.23 0.09 0.06 0.00 0.09 0.00 0.00 57.88 57.89 1g98 h LEU 25 Cb 1.12 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 42.04 1g98 h LEU 25 CO 0.34 -0.18 0.55 -0.09 0.09 0.00 0.00 178.44 179.16 1g98 h ARG 26 N -0.14 0.93 -0.37 1.13 2.43 -1.94 -0.73 114.38 115.70 1g98 h ARG 26 Ca 0.11 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.07 1g98 h ARG 26 Cb 0.30 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1g98 h ARG 26 CO -0.27 0.62 -0.36 1.25 -1.51 0.00 0.00 179.97 179.70 1g98 h HIS 27 N 0.96 1.07 -0.54 2.20 2.76 -1.83 -1.46 115.15 118.31 1g98 h HIS 27 Ca 0.36 -0.32 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1g98 h HIS 27 Cb 0.18 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 28.89 1g98 h HIS 27 CO -0.00 1.14 0.32 -0.07 -1.30 0.00 0.00 177.93 178.01 1g98 h LEU 28 N 0.70 0.65 -0.27 0.26 3.38 -0.01 -2.11 115.31 117.92 1g98 h LEU 28 Ca 0.06 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1g98 h LEU 28 Cb 0.95 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1g98 h LEU 28 CO 0.09 0.52 -0.37 -0.26 0.09 0.00 0.00 178.44 178.51 1g98 h PHE 29 N 0.72 0.89 0.00 1.13 -1.00 -1.15 -2.50 116.94 115.03 1g98 h PHE 29 Ca 0.19 -0.29 0.00 0.00 2.81 0.00 0.00 57.97 60.68 1g98 h PHE 29 Cb -0.00 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 39.38 1g98 h PHE 29 CO -0.02 1.06 0.00 -0.25 -1.61 0.00 0.00 178.31 177.49 1g98 n ASP 30 N -4.20 0.35 -0.21 2.17 8.00 -0.55 -2.26 116.55 119.84 1g98 n ASP 30 Ca -0.04 0.61 0.02 0.00 0.71 0.00 0.00 54.79 56.09 1g98 n ASP 30 Cb 0.52 -0.68 0.04 0.00 -0.02 0.00 0.00 41.12 40.99 1g98 n ASP 30 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1g98 n THR 31 N -1.91 0.65 -3.30 -3.53 -2.24 -0.81 -4.89 114.28 98.25 1g98 n THR 31 Ca 0.01 -0.82 -0.10 0.00 -2.27 0.00 0.00 64.05 60.87 1g98 n THR 31 Cb 0.13 0.71 -0.05 0.00 -2.10 0.00 0.00 70.33 69.01 1g98 n THR 31 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1g98 s ASP 32 N -0.77 0.24 0.11 3.42 2.15 -0.95 -5.00 116.67 115.87 1g98 s ASP 32 Ca 0.07 -1.02 0.12 0.00 0.43 0.00 0.00 52.55 52.15 1g98 s ASP 32 Cb 0.04 1.08 0.56 0.00 -0.30 0.00 0.00 42.92 44.31 1g98 s ASP 32 CO 0.06 -0.26 1.37 0.29 -0.17 0.00 0.00 175.17 176.45 1g98 n LYS 33 N 4.62 0.06 -0.25 4.34 4.01 -1.26 -1.89 118.16 127.79 1g98 n LYS 33 Ca 0.08 0.46 0.11 0.00 -0.51 0.00 0.00 58.31 58.45 1g98 n LYS 33 Cb 0.49 -1.66 0.24 0.00 -0.51 0.00 0.00 35.03 33.60 1g98 n LYS 33 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1g98 n GLU 34 N -1.78 2.56 -0.10 1.97 -0.58 -1.26 -4.67 120.64 116.77 1g98 n GLU 34 Ca 0.01 -2.37 -0.06 0.00 -0.42 0.00 0.00 57.16 54.31 1g98 n GLU 34 Cb 0.08 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 1g98 n GLU 34 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1g98 h ARG 35 N 4.11 -0.15 -0.12 3.49 2.43 -1.74 -2.05 114.38 120.35 1g98 h ARG 35 Ca 0.00 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1g98 h ARG 35 Cb 0.95 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.49 1g98 h ARG 35 CO 0.00 -0.10 -0.11 0.35 -1.51 0.00 0.00 179.97 178.60 1g98 h PHE 36 N -0.15 -0.28 -0.97 2.20 3.57 -1.85 0.27 116.94 119.72 1g98 h PHE 36 Ca 0.18 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.84 1g98 h PHE 36 Cb 0.43 0.14 -0.09 0.00 2.79 0.00 0.00 35.95 39.23 1g98 h PHE 36 CO -0.43 -0.17 0.59 -0.97 -2.23 0.00 0.00 178.31 175.10 1g98 h ASN 37 N -0.13 0.82 1.56 0.41 -0.00 -1.79 -2.44 115.58 114.00 1g98 h ASN 37 Ca 0.08 0.07 -0.01 0.00 -0.00 0.00 0.00 56.30 56.44 1g98 h ASN 37 Cb 0.26 -0.09 -0.00 0.00 -0.00 0.00 0.00 38.32 38.48 1g98 h ASN 37 CO -0.20 0.39 -0.45 0.45 -0.00 0.00 0.00 177.43 177.62 1g98 h HIS 38 N 0.87 0.00 -1.13 0.67 3.86 -0.88 -3.37 115.15 115.17 1g98 h HIS 38 Ca 0.50 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 59.15 1g98 h HIS 38 Cb 0.60 0.00 -0.42 0.00 1.06 0.00 0.00 27.41 28.65 1g98 h HIS 38 CO -0.02 0.05 -0.78 1.19 0.86 0.00 0.00 177.93 179.22 1g98 n PHE 39 N -2.94 3.06 -3.87 2.45 3.01 0.04 -5.01 117.46 114.20 1g98 n PHE 39 Ca 0.02 -2.67 -0.09 0.00 1.01 0.00 0.00 57.45 55.72 1g98 n PHE 39 Cb 0.56 -0.21 -0.06 0.00 -0.01 0.00 0.00 39.48 39.75 1g98 n PHE 39 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1g98 s SER 40 N -3.57 -0.01 -0.08 4.37 1.04 -1.10 -1.43 113.70 112.92 1g98 s SER 40 Ca 0.49 -0.70 -0.03 0.00 0.48 0.00 0.00 55.95 56.19 1g98 s SER 40 Cb 0.40 0.43 0.05 0.00 0.10 0.00 0.00 66.02 67.00 1g98 s SER 40 CO -0.07 -0.87 0.17 -0.22 0.98 0.00 0.00 173.24 173.23 1g98 s LEU 41 N -2.91 0.06 -0.13 2.42 0.20 -0.02 -4.98 118.68 113.32 1g98 s LEU 41 Ca 0.11 0.35 -0.02 0.00 0.69 0.00 0.00 54.13 55.27 1g98 s LEU 41 Cb 0.03 0.33 -0.02 0.00 -0.43 0.00 0.00 46.19 46.10 1g98 s LEU 41 CO -0.05 -0.23 -0.07 -0.89 -0.29 0.00 0.00 176.35 174.83 1g98 s THR 42 N 2.08 3.63 -0.19 3.68 2.01 -1.26 -0.90 115.64 124.69 1g98 s THR 42 Ca 0.00 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 61.55 1g98 s THR 42 Cb -0.12 -2.55 0.03 0.00 0.01 0.00 0.00 72.50 69.87 1g98 s THR 42 CO -0.06 0.53 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.46 1g98 s LEU 43 N 0.07 2.28 -0.39 4.42 1.43 -0.11 -4.98 118.68 121.40 1g98 s LEU 43 Ca -0.02 -0.75 -0.16 0.00 -1.03 0.00 0.00 54.13 52.17 1g98 s LEU 43 Cb -0.14 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.63 1g98 s LEU 43 CO 0.03 -0.03 0.38 0.21 0.23 0.00 0.00 176.35 177.16 1g98 s ASN 44 N 1.28 6.17 0.00 2.29 3.04 -1.26 -0.96 114.94 125.50 1g98 s ASN 44 Ca 0.03 -0.55 0.26 0.00 0.04 0.00 0.00 52.86 52.64 1g98 s ASN 44 Cb -0.14 -2.20 0.75 0.00 -1.54 0.00 0.00 41.25 38.12 1g98 s ASN 44 CO -0.12 -0.46 1.56 0.35 -3.04 0.00 0.00 177.10 175.40 1g98 n THR 45 N 5.30 0.00 -0.65 -5.21 -2.24 -0.74 -4.90 114.28 105.84 1g98 n THR 45 Ca -0.09 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1g98 n THR 45 Cb 0.48 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1g98 n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1g98 n ASN 46 N -0.54 0.00 -1.04 3.42 5.03 -1.26 -4.73 115.26 116.15 1g98 n ASN 46 Ca 0.13 0.00 0.04 0.00 0.87 0.00 0.00 54.58 55.61 1g98 n ASN 46 Cb 0.35 0.00 0.05 0.00 -1.02 0.00 0.00 39.78 39.16 1g98 n ASN 46 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1g98 n HIS 47 N -2.00 0.00 0.00 3.10 8.25 -1.26 -5.09 115.22 118.22 1g98 n HIS 47 Ca 0.00 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 56.92 1g98 n HIS 47 Cb 0.00 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 30.97 1g98 n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1g98 n GLY 48 N 0.04 3.91 3.76 -1.41 0.00 -1.26 -4.80 105.19 105.43 1g98 n GLY 48 Ca 0.07 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 1g98 n GLY 48 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1g98 s HIS 49 N -2.37 3.17 -0.14 1.61 0.09 -1.26 -1.80 115.29 114.60 1g98 s HIS 49 Ca 0.00 0.08 -0.00 0.00 -0.00 0.00 0.00 55.06 55.14 1g98 s HIS 49 Cb 0.00 -1.63 0.03 0.00 -0.00 0.00 0.00 32.58 30.98 1g98 s HIS 49 CO 0.00 0.52 -0.09 0.42 -0.00 0.00 0.00 174.74 175.58 1g98 s ILE 50 N -1.35 1.27 -0.27 0.60 1.01 -0.13 -1.43 121.20 120.90 1g98 s ILE 50 Ca 0.28 -0.54 -0.09 0.00 0.00 0.00 0.00 60.65 60.30 1g98 s ILE 50 Cb -0.12 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 1g98 s ILE 50 CO 0.20 0.32 0.13 -0.22 0.00 0.00 0.00 174.94 175.37 1g98 s LEU 51 N 1.60 3.74 -0.43 2.97 2.96 0.23 -0.94 118.68 128.80 1g98 s LEU 51 Ca 0.03 -0.13 -0.10 0.00 -0.22 0.00 0.00 54.13 53.72 1g98 s LEU 51 Cb -0.14 -2.02 0.08 0.00 0.50 0.00 0.00 46.19 44.62 1g98 s LEU 51 CO -0.09 -0.05 0.29 -0.22 -1.32 0.00 0.00 176.35 174.96 1g98 s LEU 52 N 1.68 5.30 -0.48 -0.68 2.96 -0.08 -1.16 118.68 126.23 1g98 s LEU 52 Ca 0.07 -1.54 -0.15 0.00 -0.22 0.00 0.00 54.13 52.29 1g98 s LEU 52 Cb -0.16 -2.02 0.08 0.00 0.50 0.00 0.00 46.19 44.60 1g98 s LEU 52 CO 0.07 -0.58 0.40 -0.62 -1.32 0.00 0.00 176.35 174.30 1g98 s ASP 53 N 2.27 6.10 -0.31 3.68 -1.08 -0.02 -0.84 116.67 126.47 1g98 s ASP 53 Ca 0.03 -1.43 0.09 0.00 -0.52 0.00 0.00 52.55 50.72 1g98 s ASP 53 Cb -0.24 -2.17 0.55 0.00 -1.46 0.00 0.00 42.92 39.60 1g98 s ASP 53 CO 0.02 -0.67 1.55 0.00 0.52 0.00 0.00 175.17 176.59 1g98 n TYR 54 N 5.18 1.45 0.16 -5.34 0.18 -0.52 -1.56 117.16 116.71 1g98 n TYR 54 Ca -0.12 -1.55 0.04 0.00 1.88 0.00 0.00 57.90 58.15 1g98 n TYR 54 Cb 0.43 -0.56 0.14 0.00 -0.38 0.00 0.00 39.34 38.98 1g98 n TYR 54 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1g98 h SER 55 N 1.16 0.00 -0.23 9.48 4.64 -1.58 -3.24 113.55 123.77 1g98 h SER 55 Ca 0.27 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.45 1g98 h SER 55 Cb 1.86 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.88 1g98 h SER 55 CO 0.50 0.45 0.18 0.29 -0.87 0.00 0.00 176.83 177.38 1g98 n LYS 56 N -3.31 1.35 -4.22 4.77 5.02 -1.26 -4.85 118.16 115.66 1g98 n LYS 56 Ca 0.01 -0.73 -0.27 0.00 -2.02 0.00 0.00 58.31 55.30 1g98 n LYS 56 Cb 0.65 -1.28 -0.08 0.00 -0.02 0.00 0.00 35.03 34.29 1g98 n LYS 56 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1g98 s ASN 57 N 0.88 4.61 -1.35 4.39 0.01 -1.23 -1.64 114.94 120.62 1g98 s ASN 57 Ca 0.14 -0.42 -0.14 0.00 -0.71 0.00 0.00 52.86 51.73 1g98 s ASN 57 Cb 0.11 -0.93 -0.02 0.00 0.41 0.00 0.00 41.25 40.82 1g98 s ASN 57 CO 0.01 0.11 2.30 0.18 -1.51 0.00 0.00 177.10 178.19 1g98 n LEU 58 N 0.10 6.65 -4.12 0.60 4.77 -1.26 -4.85 117.00 118.90 1g98 n LEU 58 Ca -0.11 -3.92 -0.08 0.00 -0.03 0.00 0.00 56.01 51.87 1g98 n LEU 58 Cb 0.54 -1.53 -0.10 0.00 -2.33 0.00 0.00 43.42 40.01 1g98 n LEU 58 CO 0.37 1.01 -0.32 0.68 -1.33 0.00 0.00 177.39 177.81 1g98 s VAL 59 N 3.33 0.15 0.31 4.08 -7.23 -1.26 -5.07 120.40 114.71 1g98 s VAL 59 Ca 0.52 -1.85 0.03 0.00 -1.81 0.00 0.00 61.98 58.87 1g98 s VAL 59 Cb 0.15 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 1g98 s VAL 59 CO -0.05 -0.70 0.12 0.42 -0.31 0.00 0.00 175.10 174.58 1g98 s THR 60 N -3.99 0.57 0.24 5.32 -4.23 -1.26 -4.99 115.64 107.31 1g98 s THR 60 Ca 0.16 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.62 1g98 s THR 60 Cb 0.08 -2.57 0.21 0.00 1.34 0.00 0.00 72.50 71.55 1g98 s THR 60 CO -0.04 0.00 1.81 -0.33 -0.54 0.00 0.00 174.62 175.52 1g98 h GLU 61 N 2.18 0.74 -0.54 3.99 3.07 -1.99 -1.46 114.58 120.57 1g98 h GLU 61 Ca -0.36 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.45 1g98 h GLU 61 Cb 1.25 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.97 1g98 h GLU 61 CO 0.58 0.49 0.33 1.49 -1.40 0.00 0.00 179.01 180.50 1g98 h GLU 62 N 0.76 0.73 -0.20 2.33 4.81 -1.99 -1.42 114.58 119.61 1g98 h GLU 62 Ca 0.39 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1g98 h GLU 62 Cb 0.35 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1g98 h GLU 62 CO -0.25 0.52 0.12 0.28 -0.73 0.00 0.00 179.01 178.96 1g98 h VAL 63 N 0.72 1.08 -0.82 0.32 2.07 -1.71 -1.67 116.25 116.24 1g98 h VAL 63 Ca 0.19 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.56 1g98 h VAL 63 Cb -0.02 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1g98 h VAL 63 CO -0.04 0.07 0.54 0.24 0.02 0.00 0.00 177.57 178.41 1g98 h MET 64 N 0.24 0.99 -0.33 1.57 2.86 -1.08 -0.61 114.93 118.58 1g98 h MET 64 Ca 0.07 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1g98 h MET 64 Cb 0.02 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.44 1g98 h MET 64 CO -0.01 0.65 0.10 0.45 1.06 0.00 0.00 176.91 179.16 1g98 h HIS 65 N 1.02 0.53 -0.53 -0.22 -0.00 -0.81 -0.13 115.15 115.00 1g98 h HIS 65 Ca 0.32 -0.05 -0.04 0.00 -0.00 0.00 0.00 60.37 60.60 1g98 h HIS 65 Cb 0.03 -0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 27.26 1g98 h HIS 65 CO -0.00 0.53 0.18 0.52 -0.00 0.00 0.00 177.93 179.16 1g98 h MET 66 N 0.37 0.79 -0.32 2.45 2.86 -0.62 -0.20 114.93 120.26 1g98 h MET 66 Ca 0.11 -0.13 -0.12 0.00 -2.06 0.00 0.00 59.70 57.49 1g98 h MET 66 Cb 0.25 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1g98 h MET 66 CO -0.00 0.67 -0.28 -0.07 1.06 0.00 0.00 176.91 178.29 1g98 h LEU 67 N 0.77 0.81 -0.99 1.22 3.38 -0.82 -2.01 115.31 117.67 1g98 h LEU 67 Ca 0.18 -0.46 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 1g98 h LEU 67 Cb 0.21 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1g98 h LEU 67 CO -0.01 1.09 -0.36 -0.07 0.09 0.00 0.00 178.44 179.19 1g98 h LEU 68 N 0.53 0.29 -0.85 1.67 3.38 -0.72 -1.98 115.31 117.62 1g98 h LEU 68 Ca 0.06 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1g98 h LEU 68 Cb 0.85 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1g98 h LEU 68 CO 0.07 0.63 0.06 0.44 0.09 0.00 0.00 178.44 179.73 1g98 h ASP 69 N 0.24 0.88 -0.50 -0.43 3.32 -0.90 -2.21 116.42 116.82 1g98 h ASP 69 Ca 0.03 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 56.80 1g98 h ASP 69 Cb 0.75 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1g98 h ASP 69 CO 0.06 0.90 0.03 0.25 -1.72 0.00 0.00 179.24 178.76 1g98 h LEU 70 N 0.86 0.83 -1.09 1.55 5.85 -0.91 0.75 115.31 123.15 1g98 h LEU 70 Ca 0.17 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.61 1g98 h LEU 70 Cb 0.43 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1g98 h LEU 70 CO 0.01 0.92 0.58 0.00 -0.34 0.00 0.00 178.44 179.61 1g98 h ALA 71 N 0.95 1.33 -0.11 1.25 0.00 -1.12 -0.59 119.26 120.97 1g98 h ALA 71 Ca 0.14 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1g98 h ALA 71 Cb 0.47 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1g98 h ALA 71 CO 0.02 0.61 -0.27 -0.22 0.00 0.00 0.00 179.25 179.39 1g98 h LYS 72 N 1.23 0.37 0.00 0.00 3.64 -1.07 -2.35 116.57 118.39 1g98 h LYS 72 Ca 0.33 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1g98 h LYS 72 Cb -0.12 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1g98 h LYS 72 CO -0.07 0.87 0.00 0.66 -2.27 0.00 0.00 179.45 178.64 1g98 h SER 73 N -0.07 0.00 -0.17 4.20 4.64 -0.58 -1.65 113.55 119.92 1g98 h SER 73 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1g98 h SER 73 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1g98 h SER 73 CO 0.06 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.56 1g98 n ARG 74 N -2.51 2.06 -2.93 4.77 5.12 -0.25 -4.97 116.66 117.95 1g98 n ARG 74 Ca 0.01 -1.58 -0.14 0.00 -1.93 0.00 0.00 57.85 54.22 1g98 n ARG 74 Cb 0.21 -1.46 0.03 0.00 -1.16 0.00 0.00 32.46 30.08 1g98 n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1g98 n GLY 75 N 1.29 0.02 0.14 -0.13 0.00 -0.62 -4.79 105.19 101.11 1g98 n GLY 75 Ca 0.17 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 1g98 n GLY 75 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1g98 h VAL 76 N -1.21 0.96 -0.34 1.61 2.07 -1.64 -1.63 116.25 116.08 1g98 h VAL 76 Ca -0.32 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1g98 h VAL 76 Cb 1.22 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1g98 h VAL 76 CO 0.33 0.05 0.21 -0.33 0.02 0.00 0.00 177.57 177.85 1g98 h GLU 77 N 0.29 0.45 -0.54 1.57 5.08 -1.91 0.21 114.58 119.73 1g98 h GLU 77 Ca 0.13 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1g98 h GLU 77 Cb 0.06 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1g98 h GLU 77 CO -0.10 0.34 0.28 0.00 -1.00 0.00 0.00 179.01 178.52 1g98 h ALA 78 N 1.09 0.70 -0.82 3.43 0.00 -1.94 -1.34 119.26 120.38 1g98 h ALA 78 Ca 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1g98 h ALA 78 Cb -0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1g98 h ALA 78 CO -0.02 0.23 0.47 0.00 0.00 0.00 0.00 179.25 179.93 1g98 h ALA 79 N 1.12 1.05 0.23 0.00 0.00 -1.05 -1.54 119.26 119.07 1g98 h ALA 79 Ca 0.19 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1g98 h ALA 79 Cb 0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1g98 h ALA 79 CO -0.03 0.55 -0.18 -0.09 0.00 0.00 0.00 179.25 179.50 1g98 h ARG 80 N 1.14 -0.40 -0.98 0.00 2.43 -0.42 -2.02 114.38 114.12 1g98 h ARG 80 Ca 0.29 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.57 1g98 h ARG 80 Cb 0.01 0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.58 1g98 h ARG 80 CO -0.05 -0.27 0.63 0.93 -1.51 0.00 0.00 179.97 179.70 1g98 h GLU 81 N -0.42 1.07 -0.82 0.20 4.39 -1.02 -1.24 114.58 116.75 1g98 h GLU 81 Ca -0.01 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.66 1g98 h GLU 81 Cb 0.37 -0.24 -0.05 0.00 -0.10 0.00 0.00 28.75 28.72 1g98 h GLU 81 CO -0.01 0.71 0.52 0.77 -1.16 0.00 0.00 179.01 179.84 1g98 h SER 82 N 1.11 0.84 -0.02 1.42 0.02 -0.81 0.24 113.55 116.35 1g98 h SER 82 Ca 0.44 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1g98 h SER 82 Cb 0.25 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 1g98 h SER 82 CO -0.18 0.57 -0.00 -0.03 -1.14 0.00 0.00 176.83 176.04 1g98 h MET 83 N 0.99 0.03 0.00 3.45 1.85 -0.55 -1.72 114.93 118.98 1g98 h MET 83 Ca 0.34 -0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.40 1g98 h MET 83 Cb 0.06 -0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.09 1g98 h MET 83 CO -0.13 0.39 -0.09 0.74 -0.40 0.00 0.00 176.91 177.42 1g98 h PHE 84 N -0.33 0.00 -0.01 1.39 -1.00 -1.05 -2.19 116.94 113.76 1g98 h PHE 84 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1g98 h PHE 84 Cb 0.38 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.94 1g98 h PHE 84 CO 0.05 0.09 -0.01 0.09 -1.61 0.00 0.00 178.31 176.93 1g98 n ASN 85 N -4.39 0.59 0.00 2.17 3.02 0.05 -4.92 115.26 111.78 1g98 n ASN 85 Ca -0.03 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 1g98 n ASN 85 Cb 0.17 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 1g98 n ASN 85 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g98 n GLY 86 N 1.09 0.53 3.78 7.41 0.00 -0.82 -4.38 105.19 112.79 1g98 n GLY 86 Ca 0.21 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 1g98 n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g98 s GLU 87 N -1.19 3.71 -1.06 1.61 2.02 -0.65 -4.73 118.70 118.41 1g98 s GLU 87 Ca 0.00 1.65 -0.16 0.00 0.02 0.00 0.00 54.97 56.47 1g98 s GLU 87 Cb 0.00 -2.28 -0.08 0.00 0.10 0.00 0.00 34.13 31.87 1g98 s GLU 87 CO 0.00 -0.56 2.12 1.63 0.02 0.00 0.00 175.26 178.46 1g98 n LYS 88 N -0.70 2.15 0.27 1.61 5.02 -1.26 -4.14 118.16 121.10 1g98 n LYS 88 Ca 0.08 -2.04 0.16 0.00 -2.02 0.00 0.00 58.31 54.49 1g98 n LYS 88 Cb 0.50 -2.95 0.64 0.00 -0.02 0.00 0.00 35.03 33.19 1g98 n LYS 88 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1g98 h ILE 89 N 4.08 0.11 -0.39 -0.18 3.07 -1.87 -3.32 117.51 118.99 1g98 h ILE 89 Ca 0.51 -0.62 -0.67 0.00 1.55 0.00 0.00 64.86 65.63 1g98 h ILE 89 Cb 0.56 1.56 -0.05 0.00 -0.27 0.00 0.00 36.82 38.62 1g98 h ILE 89 CO 1.86 0.04 2.56 -3.20 -1.05 0.00 0.00 178.15 178.35 1g98 n ASN 90 N -3.15 4.18 -0.24 2.16 4.05 -0.68 -4.78 115.26 116.80 1g98 n ASN 90 Ca 0.01 -2.85 0.02 0.00 0.45 0.00 0.00 54.58 52.21 1g98 n ASN 90 Cb 0.33 -1.66 0.15 0.00 1.23 0.00 0.00 39.78 39.82 1g98 n ASN 90 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 177.26 174.98 1g98 h SER 91 N 7.03 0.33 -0.17 1.20 4.64 -1.81 0.16 113.55 124.92 1g98 h SER 91 Ca 0.49 0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.86 1g98 h SER 91 Cb 0.76 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1g98 h SER 91 CO 1.67 0.17 0.04 0.71 -0.87 0.00 0.00 176.83 178.55 1g98 h THR 92 N 0.49 1.14 -0.10 2.95 1.35 -1.94 -2.43 112.91 114.38 1g98 h THR 92 Ca 0.36 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1g98 h THR 92 Cb 0.47 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1g98 h THR 92 CO -0.33 0.18 0.00 -0.62 -0.25 0.00 0.00 175.52 174.50 1g98 n GLU 93 N -4.37 1.40 -3.62 4.72 1.02 -1.11 -5.01 120.64 113.68 1g98 n GLU 93 Ca 0.01 -1.55 -0.23 0.00 -0.02 0.00 0.00 57.16 55.36 1g98 n GLU 93 Cb 0.18 -1.30 0.02 0.00 -0.02 0.00 0.00 31.44 30.31 1g98 n GLU 93 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1g98 n ASP 94 N 0.85 -5.62 -4.03 1.62 2.03 0.47 -5.00 116.55 106.88 1g98 n ASP 94 Ca 0.10 -0.81 -0.08 0.00 0.52 0.00 0.00 54.79 54.52 1g98 n ASP 94 Cb 0.40 -3.04 -0.09 0.00 -0.72 0.00 0.00 41.12 37.66 1g98 n ASP 94 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1g98 s ARG 95 N -5.05 0.65 0.69 -0.67 0.52 -0.69 -5.02 118.95 109.38 1g98 s ARG 95 Ca 0.20 -1.12 -0.08 0.00 -0.52 0.00 0.00 55.73 54.21 1g98 s ARG 95 Cb -0.08 0.23 0.04 0.00 0.52 0.00 0.00 34.95 35.67 1g98 s ARG 95 CO 0.86 -0.14 1.02 0.00 0.02 0.00 0.00 175.30 177.06 1g98 s ALA 96 N -3.75 3.07 -0.36 2.13 0.00 -1.26 -1.68 121.76 119.92 1g98 s ALA 96 Ca 0.05 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1g98 s ALA 96 Cb 0.06 -2.72 0.11 0.00 0.00 0.00 0.00 23.12 20.57 1g98 s ALA 96 CO -0.10 -1.21 0.12 0.08 0.00 0.00 0.00 175.76 174.65 1g98 s VAL 97 N -3.25 1.44 -0.35 0.00 1.01 -1.26 -4.28 120.40 113.71 1g98 s VAL 97 Ca 0.59 -1.99 0.10 0.00 0.00 0.00 0.00 61.98 60.68 1g98 s VAL 97 Cb -0.11 -2.06 0.45 0.00 0.00 0.00 0.00 36.38 34.67 1g98 s VAL 97 CO 0.46 -0.71 1.11 0.18 0.00 0.00 0.00 175.10 176.15 1g98 n LEU 98 N 4.33 3.81 0.28 3.92 4.77 -0.55 -4.74 117.00 128.82 1g98 n LEU 98 Ca 0.02 -4.51 0.16 0.00 -0.03 0.00 0.00 56.01 51.65 1g98 n LEU 98 Cb 0.40 -0.14 0.83 0.00 -2.33 0.00 0.00 43.42 42.18 1g98 n LEU 98 CO 0.18 1.91 1.03 1.12 -1.33 0.00 0.00 177.39 180.30 1g98 h HIS 99 N 2.52 0.00 0.00 -1.77 2.07 -1.87 -1.05 115.15 115.06 1g98 h HIS 99 Ca 0.20 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.67 1g98 h HIS 99 Cb 1.22 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.19 1g98 h HIS 99 CO 0.73 0.07 -0.23 -0.39 -3.07 0.00 0.00 177.93 175.04 1g98 h VAL 100 N 0.00 0.79 -0.02 6.12 -1.51 -1.94 -2.37 116.25 117.32 1g98 h VAL 100 Ca -0.00 -0.93 -0.16 0.00 -1.23 0.00 0.00 66.70 64.38 1g98 h VAL 100 Cb 0.28 1.57 -0.02 0.00 -2.13 0.00 0.00 31.29 30.99 1g98 h VAL 100 CO 0.01 0.23 -0.70 0.00 -1.23 0.00 0.00 177.57 175.88 1g98 h ALA 101 N 1.77 0.79 -0.20 5.19 0.00 -1.56 -2.61 119.26 122.64 1g98 h ALA 101 Ca -0.00 -0.62 0.04 0.00 0.00 0.00 0.00 54.91 54.33 1g98 h ALA 101 Cb 0.55 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1g98 h ALA 101 CO 0.03 0.83 0.14 -0.07 0.00 0.00 0.00 179.25 180.18 1g98 h LEU 102 N 0.07 0.08 -3.12 0.00 3.38 -1.41 -2.15 115.31 112.16 1g98 h LEU 102 Ca -0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1g98 h LEU 102 Cb 1.24 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1g98 h LEU 102 CO 0.10 0.05 -0.03 -2.11 0.09 0.00 0.00 178.44 176.54 1g98 n ARG 103 N -4.49 1.96 -2.34 1.13 1.85 -1.17 -4.91 116.66 108.69 1g98 n ARG 103 Ca 0.01 -2.75 -0.36 0.00 -1.00 0.00 0.00 57.85 53.76 1g98 n ARG 103 Cb 0.22 -1.66 -0.03 0.00 -1.05 0.00 0.00 32.46 29.94 1g98 n ARG 103 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1g98 s ASN 104 N -2.52 5.98 0.56 2.89 2.47 -0.81 -4.39 114.94 119.12 1g98 s ASN 104 Ca 0.37 -2.04 0.33 0.00 0.42 0.00 0.00 52.86 51.94 1g98 s ASN 104 Cb 0.31 -2.58 1.59 0.00 -1.45 0.00 0.00 41.25 39.12 1g98 s ASN 104 CO 0.05 -2.07 2.08 0.03 -3.72 0.00 0.00 177.10 173.47 1g98 h ARG 105 N 8.67 0.00 0.00 0.43 2.47 -1.89 -1.61 114.38 122.45 1g98 h ARG 105 Ca 0.33 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.05 1g98 h ARG 105 Cb 0.91 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.23 1g98 h ARG 105 CO 1.35 0.06 0.00 0.77 0.56 0.00 0.00 179.97 182.71 1g98 h SER 106 N 0.00 0.00 -0.33 7.04 0.02 -2.00 -3.46 113.55 114.82 1g98 h SER 106 Ca -0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1g98 h SER 106 Cb 0.37 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.85 1g98 h SER 106 CO 0.01 0.00 -0.13 0.59 -1.14 0.00 0.00 176.83 176.16 1g98 n ASN 107 N -2.63 -5.61 -4.71 3.07 3.02 -0.61 -4.93 115.26 102.86 1g98 n ASN 107 Ca 0.03 0.17 -0.43 0.00 -0.03 0.00 0.00 54.58 54.32 1g98 n ASN 107 Cb 0.37 -3.72 -0.03 0.00 -0.61 0.00 0.00 39.78 35.79 1g98 n ASN 107 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1g98 n THR 108 N -2.21 0.34 -1.68 3.41 -1.04 -1.26 -4.87 114.28 106.98 1g98 n THR 108 Ca -0.07 -0.09 -0.42 0.00 -2.04 0.00 0.00 64.05 61.44 1g98 n THR 108 Cb 0.52 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 1g98 n THR 108 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1g98 n PRO 109 N 3.22 1.88 -3.66 -2.82 -0.04 -1.26 -4.95 135.00 127.37 1g98 n PRO 109 Ca 0.14 0.66 -0.29 0.00 -0.04 0.00 0.00 63.50 63.97 1g98 n PRO 109 Cb 0.34 -2.27 -0.15 0.00 -0.04 0.00 0.00 33.50 31.37 1g98 n PRO 109 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1g98 s ILE 110 N -1.16 0.50 -0.05 0.52 1.01 -1.26 -5.05 121.20 115.70 1g98 s ILE 110 Ca 0.59 -1.12 -0.22 0.00 0.00 0.00 0.00 60.65 59.90 1g98 s ILE 110 Cb -0.55 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 1g98 s ILE 110 CO 0.60 -0.68 0.64 0.54 0.00 0.00 0.00 174.94 176.03 1g98 s VAL 111 N 1.81 5.02 -0.52 2.92 0.11 -1.26 -2.03 120.40 126.46 1g98 s VAL 111 Ca 0.09 1.31 0.04 0.00 -2.93 0.00 0.00 61.98 60.50 1g98 s VAL 111 Cb -0.17 -3.98 0.17 0.00 -1.53 0.00 0.00 36.38 30.87 1g98 s VAL 111 CO -0.29 0.31 0.39 -0.69 -3.33 0.00 0.00 175.10 171.49 1g98 s VAL 112 N 0.48 1.38 0.00 2.04 1.01 -1.12 -4.60 120.40 119.59 1g98 s VAL 112 Ca 0.34 -3.23 0.00 0.00 0.00 0.00 0.00 61.98 59.09 1g98 s VAL 112 Cb -0.17 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1g98 s VAL 112 CO 0.17 -1.12 0.00 0.47 0.00 0.00 0.00 175.10 174.62 1g98 n ASP 113 N 2.61 -0.40 0.00 3.32 9.92 -1.26 -4.47 116.55 126.27 1g98 n ASP 113 Ca 0.24 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.50 1g98 n ASP 113 Cb 0.42 -0.14 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 1g98 n ASP 113 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1g98 n GLY 114 N -0.63 3.12 3.35 0.44 0.00 -1.26 -5.05 105.19 105.16 1g98 n GLY 114 Ca 0.00 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.77 1g98 n GLY 114 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1g98 s LYS 115 N 0.00 1.48 0.35 1.61 2.20 -1.26 -5.04 119.74 119.07 1g98 s LYS 115 Ca 0.00 -1.21 -0.29 0.00 -0.36 0.00 0.00 55.97 54.11 1g98 s LYS 115 Cb 0.00 -1.81 -0.11 0.00 -1.51 0.00 0.00 37.83 34.40 1g98 s LYS 115 CO 0.00 0.44 1.54 -3.47 -0.36 0.00 0.00 175.35 173.50 1g98 n ASP 116 N 1.28 3.86 0.07 1.43 2.03 -1.26 -2.79 116.55 121.18 1g98 n ASP 116 Ca -0.18 1.20 0.12 0.00 0.52 0.00 0.00 54.79 56.45 1g98 n ASP 116 Cb 0.53 -1.62 0.03 0.00 -0.72 0.00 0.00 41.12 39.34 1g98 n ASP 116 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1g98 n VAL 117 N 1.07 0.45 -0.27 5.18 0.24 -0.86 -4.35 118.33 119.78 1g98 n VAL 117 Ca 0.04 -0.43 0.04 0.00 -2.04 0.00 0.00 64.34 61.94 1g98 n VAL 117 Cb 0.38 -0.18 0.18 0.00 -1.47 0.00 0.00 33.84 32.75 1g98 n VAL 117 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1g98 h MET 118 N 0.00 0.61 -0.47 7.34 2.86 -1.92 -1.75 114.93 121.60 1g98 h MET 118 Ca 0.00 -0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.68 1g98 h MET 118 Cb 0.90 -0.14 -0.07 0.00 0.06 0.00 0.00 31.60 32.35 1g98 h MET 118 CO 0.00 0.40 0.09 -1.35 1.06 0.00 0.00 176.91 177.11 1g98 h PRO 119 N 0.63 0.22 0.00 -0.22 0.11 -1.97 0.98 132.00 131.74 1g98 h PRO 119 Ca 0.40 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.39 1g98 h PRO 119 Cb 0.49 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 1g98 h PRO 119 CO -0.31 0.14 -0.50 1.05 -0.21 0.00 0.00 178.00 178.17 1g98 h GLU 120 N 0.22 0.00 -0.08 1.05 4.11 -1.73 -0.94 114.58 117.21 1g98 h GLU 120 Ca 0.23 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.65 1g98 h GLU 120 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1g98 h GLU 120 CO -0.31 0.50 0.01 0.28 0.07 0.00 0.00 179.01 179.56 1g98 h VAL 121 N 0.00 1.22 0.00 -1.06 2.07 -0.37 -2.43 116.25 115.69 1g98 h VAL 121 Ca -0.01 -0.69 -0.08 0.00 0.82 0.00 0.00 66.70 66.75 1g98 h VAL 121 Cb 0.89 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1g98 h VAL 121 CO 0.07 0.19 -0.36 0.78 0.02 0.00 0.00 177.57 178.27 1g98 h ASN 122 N -0.11 0.00 -0.23 0.57 2.35 -0.73 -2.29 115.58 115.14 1g98 h ASN 122 Ca 0.02 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 1g98 h ASN 122 Cb 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1g98 h ASN 122 CO 0.00 0.36 -0.09 0.50 -1.65 0.00 0.00 177.43 176.55 1g98 h LYS 123 N 0.00 0.46 -0.32 0.81 1.63 -1.03 0.16 116.57 118.28 1g98 h LYS 123 Ca -0.00 -0.20 -0.02 0.00 -0.85 0.00 0.00 60.65 59.58 1g98 h LYS 123 Cb 0.78 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.38 1g98 h LYS 123 CO 0.05 0.73 0.12 0.28 -3.45 0.00 0.00 179.45 177.17 1g98 h VAL 124 N 0.18 1.19 -0.56 2.00 2.07 -1.35 0.23 116.25 120.01 1g98 h VAL 124 Ca 0.05 -0.60 0.08 0.00 0.82 0.00 0.00 66.70 67.05 1g98 h VAL 124 Cb 0.58 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 1g98 h VAL 124 CO 0.03 0.21 0.20 -0.07 0.02 0.00 0.00 177.57 177.96 1g98 h LEU 125 N 0.36 0.19 -0.66 2.57 3.38 -1.29 0.59 115.31 120.45 1g98 h LEU 125 Ca 0.10 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1g98 h LEU 125 Cb 0.21 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1g98 h LEU 125 CO -0.01 0.13 0.24 0.44 0.09 0.00 0.00 178.44 179.33 1g98 h ASP 126 N 0.38 0.94 -0.77 -0.43 3.32 -0.62 -0.93 116.42 118.31 1g98 h ASP 126 Ca 0.28 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1g98 h ASP 126 Cb 0.33 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 1g98 h ASP 126 CO -0.29 0.88 0.42 0.50 -1.72 0.00 0.00 179.24 179.03 1g98 h LYS 127 N 0.95 1.07 0.02 3.56 3.64 0.47 -0.42 116.57 125.86 1g98 h LYS 127 Ca 0.22 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1g98 h LYS 127 Cb 0.25 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1g98 h LYS 127 CO -0.01 0.79 -0.01 0.52 -2.27 0.00 0.00 179.45 178.47 1g98 h MET 128 N 1.06 -0.03 -0.64 1.90 2.86 0.62 -1.16 114.93 119.55 1g98 h MET 128 Ca 0.27 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.90 1g98 h MET 128 Cb 0.03 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 1g98 h MET 128 CO -0.04 0.02 0.35 -0.22 1.06 0.00 0.00 176.91 178.07 1g98 h LYS 129 N -0.07 0.90 -0.12 1.72 3.64 -0.92 0.29 116.57 122.01 1g98 h LYS 129 Ca -0.00 -0.11 0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1g98 h LYS 129 Cb 0.06 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1g98 h LYS 129 CO 0.01 0.68 0.01 0.00 -2.27 0.00 0.00 179.45 177.88 1g98 h ALA 130 N 1.17 0.11 -0.26 5.00 0.00 -0.92 0.28 119.26 124.63 1g98 h ALA 130 Ca 0.22 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1g98 h ALA 130 Cb 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1g98 h ALA 130 CO -0.04 -0.44 0.11 0.35 0.00 0.00 0.00 179.25 179.23 1g98 h PHE 131 N 0.06 0.39 -0.98 0.00 3.57 -0.95 -2.21 116.94 116.82 1g98 h PHE 131 Ca 0.05 -0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.62 1g98 h PHE 131 Cb 0.05 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 38.60 1g98 h PHE 131 CO -0.12 0.39 0.63 0.00 -2.23 0.00 0.00 178.31 176.97 1g98 h GLN 133 N 1.06 0.60 -0.52 0.00 -0.00 -0.10 -1.37 115.11 114.78 1g98 h GLN 133 Ca 0.45 -0.12 0.00 0.00 -0.00 0.00 0.00 58.65 58.98 1g98 h GLN 133 Cb 0.33 -0.09 -0.03 0.00 0.00 0.00 0.00 27.48 27.69 1g98 h GLN 133 CO -0.20 0.60 0.33 0.00 0.00 0.00 0.00 178.83 179.56 1g98 h ARG 134 N 0.49 0.69 -0.21 1.69 3.08 -0.71 -1.68 114.38 117.72 1g98 h ARG 134 Ca 0.13 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1g98 h ARG 134 Cb 0.24 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1g98 h ARG 134 CO -0.01 0.47 -0.03 0.28 -1.07 0.00 0.00 179.97 179.62 1g98 h VAL 135 N 0.70 1.27 -0.03 2.04 2.07 -1.21 0.13 116.25 121.22 1g98 h VAL 135 Ca 0.19 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1g98 h VAL 135 Cb -0.06 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1g98 h VAL 135 CO -0.04 0.30 0.01 0.03 0.02 0.00 0.00 177.57 177.89 1g98 h ARG 136 N 0.14 0.04 0.00 1.57 2.47 -1.17 -2.81 114.38 114.62 1g98 h ARG 136 Ca 0.06 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1g98 h ARG 136 Cb 0.46 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 1g98 h ARG 136 CO 0.02 0.12 0.00 -1.13 0.56 0.00 0.00 179.97 179.54 1g98 n SER 137 N -5.02 0.00 0.00 7.04 3.41 -0.64 -4.83 113.62 113.58 1g98 n SER 137 Ca -0.07 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1g98 n SER 137 Cb 0.07 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1g98 n SER 137 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1g98 n GLY 138 N -0.12 0.55 0.07 5.00 0.00 -1.06 -4.94 105.19 104.69 1g98 n GLY 138 Ca 0.04 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 1g98 n GLY 138 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1g98 h ASP 139 N 0.00 0.07 -2.79 1.61 -0.00 -1.09 -3.42 116.42 110.80 1g98 h ASP 139 Ca 0.00 -0.61 -0.57 0.00 -0.00 0.00 0.00 57.03 55.85 1g98 h ASP 139 Cb 0.00 -0.02 -0.03 0.00 -0.00 0.00 0.00 39.33 39.28 1g98 h ASP 139 CO 0.00 0.67 1.14 0.86 -0.00 0.00 0.00 179.24 181.91 1g98 s TRP 140 N -3.76 2.09 0.12 0.28 -0.11 0.12 -4.97 118.94 112.71 1g98 s TRP 140 Ca -0.16 0.57 0.02 0.00 1.22 0.00 0.00 56.10 57.75 1g98 s TRP 140 Cb 0.01 -4.02 -0.04 0.00 -1.50 0.00 0.00 33.47 27.92 1g98 s TRP 140 CO 0.69 -2.85 0.25 -1.59 -4.62 0.00 0.00 176.95 168.83 1g98 s LYS 141 N 4.83 3.40 0.87 5.86 0.00 -1.26 -4.20 119.74 129.23 1g98 s LYS 141 Ca 0.72 -0.57 -0.12 0.00 0.00 0.00 0.00 55.97 56.00 1g98 s LYS 141 Cb -0.24 -2.96 0.11 0.00 0.00 0.00 0.00 37.83 34.74 1g98 s LYS 141 CO 0.30 0.55 1.14 0.20 0.00 0.00 0.00 175.35 177.54 1g98 s GLY 142 N -2.99 1.59 0.55 0.59 0.00 0.16 -4.88 107.32 102.33 1g98 s GLY 142 Ca 0.34 -0.51 0.35 0.00 0.00 0.00 0.00 44.72 44.90 1g98 s GLY 142 CO 0.28 0.01 2.06 0.10 0.00 0.00 0.00 173.10 175.55 1g98 h TYR 143 N -1.32 0.00 -0.27 1.90 -0.00 -1.86 0.89 116.97 116.32 1g98 h TYR 143 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.24 1g98 h TYR 143 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.05 1g98 h TYR 143 CO 0.33 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 178.74 1g98 n THR 144 N -2.77 1.20 -0.07 -0.90 -2.24 -1.26 -5.00 114.28 103.25 1g98 n THR 144 Ca -0.02 -1.15 0.00 0.00 -2.27 0.00 0.00 64.05 60.60 1g98 n THR 144 Cb 0.11 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1g98 n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g98 n GLY 145 N 0.17 0.53 3.89 3.38 0.00 0.31 -5.08 105.19 108.38 1g98 n GLY 145 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1g98 n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g98 s LYS 146 N -0.84 3.65 0.41 1.61 3.01 -1.26 -4.68 119.74 121.64 1g98 s LYS 146 Ca 0.00 0.35 -0.22 0.00 -1.01 0.00 0.00 55.97 55.09 1g98 s LYS 146 Cb 0.00 -2.37 -0.11 0.00 -1.01 0.00 0.00 37.83 34.35 1g98 s LYS 146 CO 0.00 -0.15 0.94 0.95 0.51 0.00 0.00 175.35 177.60 1g98 s THR 147 N -2.61 4.37 0.07 2.17 -4.23 -1.26 -0.67 115.64 113.49 1g98 s THR 147 Ca 0.49 1.52 -0.31 0.00 -1.18 0.00 0.00 61.69 62.22 1g98 s THR 147 Cb -0.10 -3.67 -0.07 0.00 1.34 0.00 0.00 72.50 70.00 1g98 s THR 147 CO 0.40 -0.24 1.45 -0.63 -0.54 0.00 0.00 174.62 175.06 1g98 s ILE 148 N -2.08 3.35 -0.05 2.99 -1.09 -1.26 -4.72 121.20 118.35 1g98 s ILE 148 Ca 0.60 0.88 0.10 0.00 -2.23 0.00 0.00 60.65 60.00 1g98 s ILE 148 Cb -0.11 -3.57 -0.16 0.00 -1.58 0.00 0.00 42.46 37.05 1g98 s ILE 148 CO 0.15 0.03 0.24 0.35 -1.23 0.00 0.00 174.94 174.48 1g98 n THR 149 N 4.33 0.00 -3.92 2.92 -2.24 0.13 -4.81 114.28 110.69 1g98 n THR 149 Ca 0.13 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.52 1g98 n THR 149 Cb 0.42 0.32 -0.15 0.00 -2.10 0.00 0.00 70.33 68.82 1g98 n THR 149 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1g98 s ASP 150 N -3.08 0.26 -0.18 3.42 1.11 -1.04 -1.63 116.67 115.53 1g98 s ASP 150 Ca -0.03 -0.02 -0.01 0.00 0.18 0.00 0.00 52.55 52.67 1g98 s ASP 150 Cb 0.07 -0.11 -0.00 0.00 1.07 0.00 0.00 42.92 43.95 1g98 s ASP 150 CO 0.43 -0.05 -0.11 -0.69 1.18 0.00 0.00 175.17 175.92 1g98 s VAL 151 N 0.56 2.91 -0.28 -1.27 1.01 0.99 -0.87 120.40 123.46 1g98 s VAL 151 Ca -0.05 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 1g98 s VAL 151 Cb -0.08 -2.27 0.04 0.00 0.00 0.00 0.00 36.38 34.08 1g98 s VAL 151 CO -0.01 0.49 -0.03 -0.63 0.00 0.00 0.00 175.10 174.91 1g98 s ILE 152 N 1.04 2.85 -0.05 2.22 1.09 0.14 0.02 121.20 128.51 1g98 s ILE 152 Ca -0.01 -1.30 -0.25 0.00 -1.10 0.00 0.00 60.65 58.00 1g98 s ILE 152 Cb -0.15 -2.58 -0.04 0.00 -1.06 0.00 0.00 42.46 38.64 1g98 s ILE 152 CO -0.02 0.00 0.77 0.21 -0.10 0.00 0.00 174.94 175.80 1g98 s ASN 153 N 1.26 7.09 -0.23 3.58 3.84 0.41 -0.63 114.94 130.25 1g98 s ASN 153 Ca -0.04 1.31 0.02 0.00 0.21 0.00 0.00 52.86 54.36 1g98 s ASN 153 Cb -0.19 -2.45 0.04 0.00 -0.55 0.00 0.00 41.25 38.11 1g98 s ASN 153 CO -0.03 -0.15 -0.15 -0.63 -2.79 0.00 0.00 177.10 173.36 1g98 s ILE 154 N 0.82 2.11 -0.00 -5.21 1.01 0.79 -0.95 121.20 119.78 1g98 s ILE 154 Ca 0.41 -1.34 -0.29 0.00 0.00 0.00 0.00 60.65 59.42 1g98 s ILE 154 Cb -0.19 -2.10 0.11 0.00 0.01 0.00 0.00 42.46 40.30 1g98 s ILE 154 CO 0.21 0.20 1.27 -0.83 0.00 0.00 0.00 174.94 175.78 1g98 s GLY 155 N 1.18 -0.29 0.04 6.18 0.00 -0.84 -0.84 107.32 112.75 1g98 s GLY 155 Ca -0.03 0.42 -0.02 0.00 0.00 0.00 0.00 44.72 45.09 1g98 s GLY 155 CO -0.08 1.92 -0.00 -1.50 0.00 0.00 0.00 173.10 173.44 1g98 s ILE 156 N -2.31 0.18 0.00 0.90 2.07 -1.26 -3.84 121.20 116.94 1g98 s ILE 156 Ca 0.19 -1.46 0.00 0.00 -1.41 0.00 0.00 60.65 57.97 1g98 s ILE 156 Cb 0.03 -1.12 0.00 0.00 0.13 0.00 0.00 42.46 41.50 1g98 s ILE 156 CO -0.02 -0.81 0.00 0.61 -1.91 0.00 0.00 174.94 172.81 1g98 n GLY 157 N 0.56 3.89 0.32 1.50 0.00 -1.26 -1.80 105.19 108.40 1g98 n GLY 157 Ca -0.17 -0.01 0.21 0.00 0.00 0.00 0.00 46.02 46.05 1g98 n GLY 157 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1g98 h GLY 158 N 0.00 0.00 -2.45 -0.02 0.00 -1.98 -0.21 103.07 98.41 1g98 h GLY 158 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1g98 h GLY 158 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 1g98 n SER 159 N -3.24 3.72 0.10 0.19 7.64 -0.74 -4.56 113.62 116.73 1g98 n SER 159 Ca -0.03 -2.37 0.00 0.00 1.01 0.00 0.00 58.87 57.48 1g98 n SER 159 Cb 0.10 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 1g98 n SER 159 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1g98 n ASP 160 N 0.72 0.07 -0.32 6.43 2.03 -0.18 -4.15 116.55 121.15 1g98 n ASP 160 Ca 0.19 0.35 0.06 0.00 0.52 0.00 0.00 54.79 55.91 1g98 n ASP 160 Cb 0.72 0.21 0.25 0.00 -0.72 0.00 0.00 41.12 41.59 1g98 n ASP 160 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1g98 h LEU 161 N 0.00 0.89 0.69 -2.67 5.85 -1.57 -2.20 115.31 116.30 1g98 h LEU 161 Ca 0.00 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1g98 h LEU 161 Cb 0.00 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 40.88 1g98 h LEU 161 CO 0.00 0.53 -0.33 1.23 -0.34 0.00 0.00 178.44 179.52 1g98 h GLY 162 N 0.98 -0.97 1.38 3.75 0.00 -1.80 0.83 103.07 107.24 1g98 h GLY 162 Ca 0.43 0.36 0.01 0.00 0.00 0.00 0.00 47.33 48.14 1g98 h GLY 162 CO -0.19 -0.35 0.39 -2.55 0.00 0.00 0.00 176.54 173.84 1g98 h PRO 163 N -1.05 0.75 0.14 4.80 0.11 -1.86 -1.20 132.00 133.69 1g98 h PRO 163 Ca -0.09 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 1g98 h PRO 163 Cb 0.74 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1g98 h PRO 163 CO 0.16 0.49 -0.07 1.25 -0.21 0.00 0.00 178.00 179.62 1g98 h LEU 164 N 0.77 -0.16 -0.78 2.35 7.12 -1.29 -1.48 115.31 121.84 1g98 h LEU 164 Ca 0.22 -0.22 0.01 0.00 0.13 0.00 0.00 57.88 58.02 1g98 h LEU 164 Cb -0.04 0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 40.10 1g98 h LEU 164 CO -0.05 0.13 0.51 -0.03 -0.13 0.00 0.00 178.44 178.87 1g98 h MET 165 N -0.47 1.03 -0.25 1.25 4.05 -0.53 -1.96 114.93 118.05 1g98 h MET 165 Ca -0.02 -0.07 -0.10 0.00 -0.28 0.00 0.00 59.70 59.23 1g98 h MET 165 Cb 0.37 -0.23 -0.00 0.00 -0.80 0.00 0.00 31.60 30.94 1g98 h MET 165 CO 0.03 0.69 -0.24 0.28 0.23 0.00 0.00 176.91 177.91 1g98 h VAL 166 N 1.06 1.31 -0.40 -5.77 2.07 -1.22 -1.18 116.25 112.12 1g98 h VAL 166 Ca 0.28 -1.40 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 1g98 h VAL 166 Cb -0.11 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1g98 h VAL 166 CO -0.06 0.44 0.07 0.71 0.02 0.00 0.00 177.57 178.75 1g98 h THR 167 N 0.32 1.19 -0.47 2.57 1.35 -1.19 0.11 112.91 116.80 1g98 h THR 167 Ca 0.04 -0.71 -0.12 0.00 -0.55 0.00 0.00 66.41 65.08 1g98 h THR 167 Cb 0.79 0.82 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 1g98 h THR 167 CO 0.06 0.25 -0.16 -0.33 -0.25 0.00 0.00 175.52 175.09 1g98 h GLU 168 N 0.58 0.94 0.00 4.72 4.39 -1.24 -2.64 114.58 121.33 1g98 h GLU 168 Ca 0.13 -0.38 -0.10 0.00 0.34 0.00 0.00 59.36 59.35 1g98 h GLU 168 Cb 0.26 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1g98 h GLU 168 CO 0.00 1.04 -0.47 0.00 -1.16 0.00 0.00 179.01 178.43 1g98 h ALA 169 N 0.87 0.98 -0.48 3.43 0.00 -0.47 -3.23 119.26 120.35 1g98 h ALA 169 Ca 0.11 -0.43 -0.20 0.00 0.00 0.00 0.00 54.91 54.40 1g98 h ALA 169 Cb 0.73 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.32 1g98 h ALA 169 CO 0.06 0.58 0.10 1.28 0.00 0.00 0.00 179.25 181.27 1g98 n LEU 170 N -3.62 4.73 -0.32 0.00 4.77 0.33 -4.71 117.00 118.18 1g98 n LEU 170 Ca -0.00 -3.52 0.14 0.00 -0.03 0.00 0.00 56.01 52.59 1g98 n LEU 170 Cb 0.55 -0.66 0.37 0.00 -2.33 0.00 0.00 43.42 41.35 1g98 n LEU 170 CO 0.39 1.05 1.21 0.50 -1.33 0.00 0.00 177.39 179.20 1g98 h LYS 171 N 1.37 0.67 0.00 3.23 1.63 -1.49 -0.24 116.57 121.74 1g98 h LYS 171 Ca 0.25 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 1g98 h LYS 171 Cb 1.89 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 33.37 1g98 h LYS 171 CO 0.51 0.44 0.00 -2.30 -3.45 0.00 0.00 179.45 174.66 1g98 n PRO 172 N -4.67 0.11 -1.40 1.90 -0.01 -1.26 -2.34 135.00 127.34 1g98 n PRO 172 Ca 0.22 0.58 -0.24 0.00 -0.01 0.00 0.00 63.50 64.05 1g98 n PRO 172 Cb 0.58 -1.85 0.10 0.00 -0.01 0.00 0.00 33.50 32.32 1g98 n PRO 172 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 175.50 176.15 1g98 n TYR 173 N -2.09 2.62 -4.01 6.00 4.02 -0.10 -4.92 117.16 118.68 1g98 n TYR 173 Ca -0.01 -2.37 -0.31 0.00 -0.01 0.00 0.00 57.90 55.20 1g98 n TYR 173 Cb 0.05 -0.89 -0.15 0.00 -0.02 0.00 0.00 39.34 38.33 1g98 n TYR 173 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1g98 s SER 174 N -2.40 4.25 0.00 7.72 1.04 -0.99 -4.09 113.70 119.23 1g98 s SER 174 Ca 0.56 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1g98 s SER 174 Cb 0.46 -1.41 0.00 0.00 0.10 0.00 0.00 66.02 65.17 1g98 s SER 174 CO 0.02 -0.22 0.00 -1.54 0.98 0.00 0.00 173.24 172.48 1g98 n SER 175 N 4.51 0.00 -1.71 7.02 3.41 -1.26 -4.75 113.62 120.84 1g98 n SER 175 Ca -0.12 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.39 1g98 n SER 175 Cb 0.43 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.54 1g98 n SER 175 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1g98 n GLY 176 N 4.39 3.35 3.74 5.00 0.00 -1.26 -4.91 105.19 115.50 1g98 n GLY 176 Ca 0.00 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 1g98 n GLY 176 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g98 s GLY 177 N -0.52 2.88 0.76 -0.02 0.00 -1.26 -4.85 107.32 104.31 1g98 s GLY 177 Ca 0.37 0.40 -0.11 0.00 0.00 0.00 0.00 44.72 45.38 1g98 s GLY 177 CO 0.08 1.20 1.10 2.56 0.00 0.00 0.00 173.10 178.04 1g98 s PRO 178 N -0.15 2.31 0.41 2.90 0.04 -1.26 -4.96 135.00 134.29 1g98 s PRO 178 Ca 0.41 1.21 -0.26 0.00 0.04 0.00 0.00 61.00 62.40 1g98 s PRO 178 Cb -0.22 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 1g98 s PRO 178 CO 0.26 -1.61 1.31 1.03 0.04 0.00 0.00 177.00 178.03 1g98 s ARG 179 N -4.77 3.95 -0.06 4.56 0.52 -0.64 -4.76 118.95 117.75 1g98 s ARG 179 Ca 0.62 2.16 0.03 0.00 -0.52 0.00 0.00 55.73 58.03 1g98 s ARG 179 Cb -0.18 -2.75 -0.02 0.00 0.52 0.00 0.00 34.95 32.52 1g98 s ARG 179 CO 0.54 -0.51 -0.14 0.08 0.02 0.00 0.00 175.30 175.29 1g98 s VAL 180 N -1.26 3.03 0.10 3.52 1.01 -1.26 -0.01 120.40 125.54 1g98 s VAL 180 Ca 0.57 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.90 1g98 s VAL 180 Cb -0.38 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1g98 s VAL 180 CO 0.49 0.58 -0.19 0.26 0.00 0.00 0.00 175.10 176.24 1g98 s TRP 181 N -0.55 1.65 -0.19 5.22 0.52 0.10 -4.95 118.94 120.73 1g98 s TRP 181 Ca 0.08 -0.44 0.00 0.00 0.02 0.00 0.00 56.10 55.76 1g98 s TRP 181 Cb -0.11 -0.90 0.05 0.00 -1.15 0.00 0.00 33.47 31.36 1g98 s TRP 181 CO 0.01 0.18 -0.06 -0.06 0.02 0.00 0.00 176.95 177.04 1g98 s PHE 182 N -1.32 2.07 -0.15 -1.98 0.40 -1.26 -0.45 117.98 115.29 1g98 s PHE 182 Ca 0.06 -1.40 -0.04 0.00 -0.60 0.00 0.00 56.93 54.95 1g98 s PHE 182 Cb -0.09 -1.47 -0.03 0.00 0.51 0.00 0.00 43.02 41.94 1g98 s PHE 182 CO 0.04 -0.70 -0.02 0.08 0.70 0.00 0.00 175.22 175.32 1g98 s VAL 183 N 1.51 4.02 0.00 -0.44 1.01 -0.12 -4.97 120.40 121.41 1g98 s VAL 183 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1g98 s VAL 183 Cb -0.17 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1g98 s VAL 183 CO -0.07 0.50 0.00 -1.54 0.00 0.00 0.00 175.10 173.99 1g98 n SER 184 N 3.38 0.00 -4.76 3.32 3.41 -1.25 -1.99 113.62 115.73 1g98 n SER 184 Ca -0.17 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.05 1g98 n SER 184 Cb 0.53 0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.53 1g98 n SER 184 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1g98 s ASN 185 N -4.44 5.53 0.27 4.04 3.84 -1.26 -4.64 114.94 118.28 1g98 s ASN 185 Ca 0.00 2.68 0.10 0.00 0.21 0.00 0.00 52.86 55.85 1g98 s ASN 185 Cb 0.00 -2.63 0.34 0.00 -0.55 0.00 0.00 41.25 38.41 1g98 s ASN 185 CO 0.00 -1.39 1.60 -0.29 -2.79 0.00 0.00 177.10 174.24 1g98 h ILE 186 N 1.63 1.45 -0.74 -5.21 6.09 -1.98 -3.44 117.51 115.31 1g98 h ILE 186 Ca -0.51 -2.16 -0.81 0.00 -1.37 0.00 0.00 64.86 60.02 1g98 h ILE 186 Cb 1.28 2.16 -0.01 0.00 0.47 0.00 0.00 36.82 40.73 1g98 h ILE 186 CO 0.58 0.62 0.99 -0.67 -3.07 0.00 0.00 178.15 176.60 1g98 n ASP 187 N -3.79 1.29 -0.04 2.19 4.64 -1.26 -4.74 116.55 114.83 1g98 n ASP 187 Ca -0.01 0.94 0.24 0.00 -1.38 0.00 0.00 54.79 54.58 1g98 n ASP 187 Cb 0.62 -0.95 0.69 0.00 -1.04 0.00 0.00 41.12 40.44 1g98 n ASP 187 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 1g98 h GLY 188 N 7.25 0.00 0.77 0.27 0.00 -2.03 -0.99 103.07 108.35 1g98 h GLY 188 Ca -0.31 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.11 1g98 h GLY 188 CO 1.02 0.00 0.56 -0.84 0.00 0.00 0.00 176.54 177.28 1g98 h THR 189 N 0.00 0.98 0.81 4.70 2.02 -1.94 -1.55 112.91 117.93 1g98 h THR 189 Ca 0.32 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 1g98 h THR 189 Cb 1.64 0.03 0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1g98 h THR 189 CO -0.00 0.16 -0.39 -0.74 0.37 0.00 0.00 175.52 174.92 1g98 h HIS 190 N 0.88 -1.01 -0.14 3.16 2.76 -1.48 -2.24 115.15 117.09 1g98 h HIS 190 Ca 0.40 -0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.42 1g98 h HIS 190 Cb 0.38 0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.66 1g98 h HIS 190 CO -0.00 -0.62 -0.45 0.97 -1.30 0.00 0.00 177.93 176.53 1g98 h ILE 191 N -1.17 1.32 0.47 6.26 2.10 -1.72 -2.90 117.51 121.88 1g98 h ILE 191 Ca -0.11 -1.64 -0.02 0.00 1.08 0.00 0.00 64.86 64.17 1g98 h ILE 191 Cb 0.85 1.72 -0.00 0.00 -1.09 0.00 0.00 36.82 38.29 1g98 h ILE 191 CO 0.18 0.49 -0.27 0.00 -1.08 0.00 0.00 178.15 177.48 1g98 h ALA 192 N 1.25 -0.70 0.00 0.18 0.00 -1.26 0.21 119.26 118.94 1g98 h ALA 192 Ca 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1g98 h ALA 192 Cb 0.91 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1g98 h ALA 192 CO 0.07 -0.90 -0.04 1.57 0.00 0.00 0.00 179.25 179.95 1g98 h LYS 193 N -0.70 0.00 0.10 0.00 2.10 -1.45 -1.86 116.57 114.76 1g98 h LYS 193 Ca -0.06 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.45 1g98 h LYS 193 Cb 0.56 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.91 1g98 h LYS 193 CO 0.07 0.04 -0.64 1.15 -2.00 0.00 0.00 179.45 178.08 1g98 h THR 194 N 0.00 1.55 0.00 0.07 2.02 -1.24 -3.33 112.91 111.99 1g98 h THR 194 Ca -0.00 -2.48 -0.04 0.00 0.77 0.00 0.00 66.41 64.67 1g98 h THR 194 Cb 0.40 3.21 -0.01 0.00 -1.74 0.00 0.00 68.15 70.02 1g98 h THR 194 CO 0.01 0.68 -0.18 -0.07 0.37 0.00 0.00 175.52 176.33 1g98 h LEU 195 N -0.55 0.00 -1.82 2.58 3.38 -0.38 -2.88 115.31 115.64 1g98 h LEU 195 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1g98 h LEU 195 Cb 1.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 1g98 h LEU 195 CO 0.10 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.81 1g98 h ALA 196 N 1.82 1.00 -0.47 1.53 0.00 -1.44 -2.48 119.26 119.22 1g98 h ALA 196 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1g98 h ALA 196 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1g98 h ALA 196 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1g98 s LEU 198 N -1.73 2.53 -0.33 0.00 2.01 -0.94 -5.10 118.68 115.12 1g98 s LEU 198 Ca 0.40 -0.62 -0.10 0.00 0.01 0.00 0.00 54.13 53.82 1g98 s LEU 198 Cb 0.26 -1.42 -0.00 0.00 0.01 0.00 0.00 46.19 45.04 1g98 s LEU 198 CO 0.19 0.19 0.18 0.21 1.01 0.00 0.00 176.35 178.12 1g98 s ASN 199 N -2.01 5.65 0.38 2.29 3.84 -1.26 -4.98 114.94 118.85 1g98 s ASN 199 Ca 0.16 -0.61 0.17 0.00 0.21 0.00 0.00 52.86 52.78 1g98 s ASN 199 Cb -0.10 -2.02 1.06 0.00 -0.55 0.00 0.00 41.25 39.63 1g98 s ASN 199 CO 0.08 -0.24 1.77 -0.65 -2.79 0.00 0.00 177.10 175.27 1g98 h PRO 200 N 8.39 0.42 0.00 0.43 0.11 -1.94 -1.23 132.00 138.18 1g98 h PRO 200 Ca -0.31 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 1g98 h PRO 200 Cb 1.14 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1g98 h PRO 200 CO 0.63 0.28 -0.11 0.93 -0.21 0.00 0.00 178.00 179.53 1g98 h GLU 201 N 0.44 0.00 0.00 1.05 5.08 -1.98 -3.18 114.58 115.99 1g98 h GLU 201 Ca 0.60 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.94 1g98 h GLU 201 Cb 1.43 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.64 1g98 h GLU 201 CO -0.32 0.11 -0.36 -1.13 -1.00 0.00 0.00 179.01 176.30 1g98 n SER 202 N -3.35 1.70 -4.36 1.42 3.41 -0.50 -4.43 113.62 107.52 1g98 n SER 202 Ca -0.01 -3.18 -0.33 0.00 -0.26 0.00 0.00 58.87 55.10 1g98 n SER 202 Cb 0.30 -0.43 -0.15 0.00 -0.26 0.00 0.00 64.21 63.67 1g98 n SER 202 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1g98 s SER 203 N -2.72 3.89 -0.16 4.04 0.01 -0.99 -0.69 113.70 117.07 1g98 s SER 203 Ca 0.31 -0.34 -0.02 0.00 1.31 0.00 0.00 55.95 57.21 1g98 s SER 203 Cb 0.30 -1.50 -0.01 0.00 0.21 0.00 0.00 66.02 65.01 1g98 s SER 203 CO -0.03 0.18 -0.10 -0.22 0.41 0.00 0.00 173.24 173.48 1g98 s LEU 204 N 0.24 2.82 -0.14 2.44 1.98 -0.05 -4.76 118.68 121.20 1g98 s LEU 204 Ca -0.10 -0.33 -0.07 0.00 -2.89 0.00 0.00 54.13 50.74 1g98 s LEU 204 Cb -0.16 -1.67 -0.04 0.00 0.66 0.00 0.00 46.19 44.99 1g98 s LEU 204 CO 0.06 0.11 0.11 -0.36 -1.89 0.00 0.00 176.35 174.37 1g98 s PHE 205 N 0.71 3.46 -0.28 5.38 0.40 0.75 -0.68 117.98 127.72 1g98 s PHE 205 Ca -0.05 0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 56.66 1g98 s PHE 205 Cb -0.15 -1.99 0.04 0.00 0.51 0.00 0.00 43.02 41.43 1g98 s PHE 205 CO 0.02 0.53 -0.04 0.42 0.70 0.00 0.00 175.22 176.85 1g98 s ILE 206 N -0.51 2.83 -0.55 0.64 1.01 0.20 -1.12 121.20 123.70 1g98 s ILE 206 Ca 0.12 -1.31 -0.20 0.00 0.00 0.00 0.00 60.65 59.26 1g98 s ILE 206 Cb -0.12 -2.57 0.07 0.00 0.01 0.00 0.00 42.46 39.84 1g98 s ILE 206 CO 0.02 0.00 0.73 -0.63 0.00 0.00 0.00 174.94 175.06 1g98 s ILE 207 N 1.25 4.73 -0.39 2.92 -1.09 -0.29 -0.15 121.20 128.19 1g98 s ILE 207 Ca -0.04 -0.45 -0.15 0.00 -2.23 0.00 0.00 60.65 57.78 1g98 s ILE 207 Cb -0.19 -4.41 0.01 0.00 -1.58 0.00 0.00 42.46 36.29 1g98 s ILE 207 CO -0.03 -0.99 0.34 0.00 -1.23 0.00 0.00 174.94 173.04 1g98 s ALA 208 N 3.01 3.47 -0.30 9.38 0.00 -0.02 -1.46 121.76 135.84 1g98 s ALA 208 Ca 0.18 -1.52 -0.04 0.00 0.00 0.00 0.00 51.96 50.58 1g98 s ALA 208 Cb -0.19 -2.88 0.17 0.00 0.00 0.00 0.00 23.12 20.22 1g98 s ALA 208 CO 0.12 -1.34 0.63 0.45 0.00 0.00 0.00 175.76 175.62 1g98 s SER 209 N 1.73 -1.28 0.14 0.00 0.15 -0.27 -4.34 113.70 109.84 1g98 s SER 209 Ca 0.08 1.09 -0.19 0.00 0.70 0.00 0.00 55.95 57.64 1g98 s SER 209 Cb -0.18 2.19 0.03 0.00 -1.71 0.00 0.00 66.02 66.35 1g98 s SER 209 CO 0.11 -0.24 1.69 0.50 1.20 0.00 0.00 173.24 176.50 1g98 h LYS 210 N 7.99 -0.01 0.01 5.44 3.64 -1.94 -2.98 116.57 128.72 1g98 h LYS 210 Ca -0.21 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 58.89 1g98 h LYS 210 Cb 1.14 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.92 1g98 h LYS 210 CO 0.20 -0.01 -1.58 1.79 -2.27 0.00 0.00 179.45 177.59 1g98 h THR 211 N -0.01 1.01 -1.55 1.00 1.35 -1.96 -1.79 112.91 110.96 1g98 h THR 211 Ca 0.14 -2.83 -0.23 0.00 -0.55 0.00 0.00 66.41 62.94 1g98 h THR 211 Cb 0.22 2.51 -0.02 0.00 -1.73 0.00 0.00 68.15 69.13 1g98 h THR 211 CO -0.30 0.60 -0.29 0.33 -0.25 0.00 0.00 175.52 175.61 1g98 n PHE 212 N -3.12 -0.50 -0.10 4.73 7.35 -1.12 -4.70 117.46 119.98 1g98 n PHE 212 Ca -0.14 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.55 1g98 n PHE 212 Cb 1.03 -2.59 0.00 0.00 0.35 0.00 0.00 39.48 38.27 1g98 n PHE 212 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1g98 n THR 213 N -3.92 0.00 -1.67 -2.13 -2.24 -1.26 -4.93 114.28 98.13 1g98 n THR 213 Ca -0.13 -0.24 -0.48 0.00 -2.27 0.00 0.00 64.05 60.92 1g98 n THR 213 Cb 0.59 1.10 -0.05 0.00 -2.10 0.00 0.00 70.33 69.87 1g98 n THR 213 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1g98 n THR 214 N -0.39 0.25 -0.08 4.28 -1.04 -1.26 -4.84 114.28 111.20 1g98 n THR 214 Ca 0.00 -0.05 -0.07 0.00 -2.04 0.00 0.00 64.05 61.90 1g98 n THR 214 Cb 0.03 -1.58 -0.00 0.00 -1.82 0.00 0.00 70.33 66.95 1g98 n THR 214 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1g98 h GLN 215 N 7.19 0.04 -0.04 -2.82 4.15 -1.97 -0.47 115.11 121.18 1g98 h GLN 215 Ca -0.47 -0.00 0.03 0.00 0.77 0.00 0.00 58.65 58.98 1g98 h GLN 215 Cb 1.27 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.92 1g98 h GLN 215 CO 0.91 0.03 -0.15 0.93 -1.93 0.00 0.00 178.83 178.62 1g98 h GLU 216 N 0.04 -0.21 -0.20 1.69 3.07 -1.92 -0.14 114.58 116.90 1g98 h GLU 216 Ca 0.14 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.99 1g98 h GLU 216 Cb 0.20 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1g98 h GLU 216 CO -0.27 -0.14 0.01 1.15 -1.40 0.00 0.00 179.01 178.36 1g98 h THR 217 N -0.22 1.24 -0.58 1.13 2.02 -1.80 -0.89 112.91 113.81 1g98 h THR 217 Ca 0.06 -0.83 -0.08 0.00 0.77 0.00 0.00 66.41 66.34 1g98 h THR 217 Cb 0.31 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 1g98 h THR 217 CO -0.17 0.25 0.06 0.40 0.37 0.00 0.00 175.52 176.43 1g98 h ILE 218 N 0.12 1.25 -0.25 3.11 1.08 -1.04 0.81 117.51 122.60 1g98 h ILE 218 Ca 0.06 -1.02 -0.03 0.00 -0.39 0.00 0.00 64.86 63.48 1g98 h ILE 218 Cb 0.37 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 1g98 h ILE 218 CO 0.01 0.37 0.04 0.74 -0.69 0.00 0.00 178.15 178.62 1g98 h THR 219 N 0.90 1.23 -0.74 -0.27 2.02 -0.95 -0.53 112.91 114.57 1g98 h THR 219 Ca 0.18 -0.76 -0.03 0.00 0.77 0.00 0.00 66.41 66.56 1g98 h THR 219 Cb 0.44 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 1g98 h THR 219 CO 0.02 0.24 0.32 0.78 0.37 0.00 0.00 175.52 177.25 1g98 h ASN 220 N 0.22 0.98 -0.31 4.18 2.35 -0.96 -0.91 115.58 121.12 1g98 h ASN 220 Ca 0.07 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1g98 h ASN 220 Cb 0.32 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1g98 h ASN 220 CO 0.00 0.85 0.14 0.00 -1.65 0.00 0.00 177.43 176.77 1g98 h ALA 221 N 1.30 0.40 -0.75 -0.83 0.00 -0.57 -0.05 119.26 118.76 1g98 h ALA 221 Ca 0.25 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1g98 h ALA 221 Cb 0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1g98 h ALA 221 CO -0.03 -0.03 0.30 0.87 0.00 0.00 0.00 179.25 180.37 1g98 h LYS 222 N 0.36 1.11 -0.51 0.00 1.79 -0.76 -1.24 116.57 117.33 1g98 h LYS 222 Ca 0.11 -0.19 -0.10 0.00 -2.18 0.00 0.00 60.65 58.28 1g98 h LYS 222 Cb 0.14 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 1g98 h LYS 222 CO -0.01 0.90 -0.10 1.15 -1.08 0.00 0.00 179.45 180.31 1g98 h THR 223 N 1.09 1.26 -0.62 -0.16 2.02 -0.95 -1.66 112.91 113.90 1g98 h THR 223 Ca 0.25 -1.22 -0.09 0.00 0.77 0.00 0.00 66.41 66.12 1g98 h THR 223 Cb 0.20 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1g98 h THR 223 CO -0.02 0.43 0.03 0.00 0.37 0.00 0.00 175.52 176.32 1g98 h ALA 224 N 1.04 0.87 -0.51 6.16 0.00 -0.56 -1.25 119.26 125.02 1g98 h ALA 224 Ca 0.14 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1g98 h ALA 224 Cb 0.63 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1g98 h ALA 224 CO 0.04 0.67 -0.08 -0.22 0.00 0.00 0.00 179.25 179.66 1g98 h LYS 225 N 0.98 0.95 -0.79 0.00 3.64 -1.05 -1.21 116.57 119.09 1g98 h LYS 225 Ca 0.18 -0.34 -0.03 0.00 -1.27 0.00 0.00 60.65 59.19 1g98 h LYS 225 Cb 0.53 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 1g98 h LYS 225 CO 0.03 1.00 0.39 -0.44 -2.27 0.00 0.00 179.45 178.16 1g98 h ASP 226 N 0.81 1.02 -0.10 4.20 3.32 -1.12 1.06 116.42 125.62 1g98 h ASP 226 Ca 0.13 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1g98 h ASP 226 Cb 0.63 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1g98 h ASP 226 CO 0.04 0.86 0.01 -0.25 -1.72 0.00 0.00 179.24 178.18 1g98 h TRP 227 N 1.11 0.26 0.00 4.55 7.01 -0.99 -2.10 115.95 125.79 1g98 h TRP 227 Ca 0.27 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.26 1g98 h TRP 227 Cb 0.10 -0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 27.08 1g98 h TRP 227 CO 0.01 0.26 -0.02 0.35 -2.79 0.00 0.00 178.44 176.25 1g98 h PHE 228 N 0.26 0.00 0.00 2.65 3.57 0.18 -3.27 116.94 120.33 1g98 h PHE 228 Ca 0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1g98 h PHE 228 Cb 0.16 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1g98 h PHE 228 CO 0.00 0.07 0.12 1.28 -2.23 0.00 0.00 178.31 177.56 1g98 n LEU 229 N -4.76 0.00 0.00 0.59 4.77 0.35 -0.61 117.00 117.34 1g98 n LEU 229 Ca -0.01 0.29 -0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1g98 n LEU 229 Cb 0.04 -0.29 -0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1g98 n LEU 229 CO 0.03 -0.29 0.19 0.25 -1.33 0.00 0.00 177.39 176.24 1g98 h LEU 230 N 0.00 -0.00 0.00 2.23 5.85 -1.42 -2.19 115.31 119.78 1g98 h LEU 230 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1g98 h LEU 230 Cb 0.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1g98 h LEU 230 CO 0.00 -0.00 -0.02 0.77 -0.34 0.00 0.00 178.44 178.85 1g98 h SER 231 N -0.01 0.00 0.00 1.25 4.64 -1.45 -3.36 113.55 114.63 1g98 h SER 231 Ca -0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1g98 h SER 231 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1g98 h SER 231 CO 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 176.83 175.72 1g98 h ALA 232 N 2.30 0.00 -2.50 5.18 0.00 -1.02 -3.51 119.26 119.71 1g98 h ALA 232 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1g98 h ALA 232 Cb 0.85 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1g98 h ALA 232 CO 0.00 0.24 -0.50 1.63 0.00 0.00 0.00 179.25 180.62 1g98 n LYS 233 N -4.27 -2.86 -0.03 0.00 4.76 -0.82 -5.03 118.16 109.90 1g98 n LYS 233 Ca -0.03 2.18 0.00 0.00 -2.87 0.00 0.00 58.31 57.58 1g98 n LYS 233 Cb 0.13 -2.22 0.00 0.00 -1.84 0.00 0.00 35.03 31.10 1g98 n LYS 233 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1g98 n ASP 234 N 0.58 -0.06 0.00 4.39 4.64 -1.26 -4.92 116.55 119.92 1g98 n ASP 234 Ca 0.00 0.00 0.04 0.00 -1.38 0.00 0.00 54.79 53.45 1g98 n ASP 234 Cb 0.00 -0.03 0.24 0.00 -1.04 0.00 0.00 41.12 40.29 1g98 n ASP 234 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1g98 n PRO 235 N 2.51 0.30 0.14 -0.67 -0.05 -1.26 -2.89 135.00 133.08 1g98 n PRO 235 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 63.50 63.57 1g98 n PRO 235 Cb 0.00 -1.41 0.21 0.00 -0.05 0.00 0.00 33.50 32.25 1g98 n PRO 235 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 1g98 h SER 236 N 0.00 0.00 0.03 3.54 4.64 -2.01 -3.32 113.55 116.43 1g98 h SER 236 Ca 0.00 -0.04 -0.21 0.00 -0.47 0.00 0.00 61.79 61.07 1g98 h SER 236 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1g98 h SER 236 CO 0.00 0.02 -0.77 0.71 -0.87 0.00 0.00 176.83 175.92 1g98 h THR 237 N 0.00 1.32 -0.82 2.95 1.35 -1.88 -3.30 112.91 112.53 1g98 h THR 237 Ca 0.00 -2.06 0.29 0.00 -0.55 0.00 0.00 66.41 64.09 1g98 h THR 237 Cb 0.88 2.05 -0.15 0.00 -1.73 0.00 0.00 68.15 69.20 1g98 h THR 237 CO 0.00 0.64 0.24 0.52 -0.25 0.00 0.00 175.52 176.67 1g98 n VAL 238 N -3.89 -0.34 0.21 6.82 0.31 -1.25 0.18 118.33 120.36 1g98 n VAL 238 Ca -0.06 1.73 0.17 0.00 -0.01 0.00 0.00 64.34 66.17 1g98 n VAL 238 Cb 0.74 -2.67 0.71 0.00 -0.91 0.00 0.00 33.84 31.71 1g98 n VAL 238 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1g98 h ALA 239 N 1.64 1.79 -0.02 3.52 0.00 -1.81 0.55 119.26 124.93 1g98 h ALA 239 Ca 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1g98 h ALA 239 Cb 1.46 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1g98 h ALA 239 CO -0.70 -0.59 -0.34 1.63 0.00 0.00 0.00 179.25 179.26 1g98 n LYS 240 N -3.21 1.52 0.00 0.00 5.02 0.47 -4.44 118.16 117.51 1g98 n LYS 240 Ca 0.03 -1.18 0.00 0.00 -2.02 0.00 0.00 58.31 55.14 1g98 n LYS 240 Cb 0.58 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 1g98 n LYS 240 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1g98 n HIS 241 N 0.28 0.00 -3.78 2.13 8.25 0.17 -4.71 115.22 117.56 1g98 n HIS 241 Ca 0.10 -0.05 -0.19 0.00 -0.26 0.00 0.00 57.72 57.32 1g98 n HIS 241 Cb 0.47 -0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.41 1g98 n HIS 241 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1g98 s PHE 242 N -0.10 0.23 0.28 4.41 0.40 0.43 -0.17 117.98 123.46 1g98 s PHE 242 Ca 0.00 0.09 0.05 0.00 -0.60 0.00 0.00 56.93 56.47 1g98 s PHE 242 Cb 0.00 -0.47 -0.06 0.00 0.51 0.00 0.00 43.02 43.00 1g98 s PHE 242 CO 0.00 -0.18 0.00 0.14 0.70 0.00 0.00 175.22 175.88 1g98 s VAL 243 N 1.62 1.29 0.03 -0.44 -7.23 -0.28 -4.72 120.40 110.67 1g98 s VAL 243 Ca -0.02 -2.05 0.01 0.00 -1.81 0.00 0.00 61.98 58.12 1g98 s VAL 243 Cb -0.13 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 1g98 s VAL 243 CO -0.03 -0.19 -0.06 0.00 -0.31 0.00 0.00 175.10 174.51 1g98 s ALA 244 N -3.24 0.41 -0.26 1.32 0.00 -0.64 -1.13 121.76 118.22 1g98 s ALA 244 Ca 0.32 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.59 1g98 s ALA 244 Cb 0.06 0.08 0.07 0.00 0.00 0.00 0.00 23.12 23.33 1g98 s ALA 244 CO 0.12 -0.07 -0.07 -0.51 0.00 0.00 0.00 175.76 175.23 1g98 s LEU 245 N -1.56 3.26 0.33 0.00 1.43 -0.54 0.38 118.68 121.98 1g98 s LEU 245 Ca -0.12 -1.41 -0.17 0.00 -1.03 0.00 0.00 54.13 51.40 1g98 s LEU 245 Cb -0.10 -1.42 0.07 0.00 0.03 0.00 0.00 46.19 44.77 1g98 s LEU 245 CO -0.00 -0.23 0.88 -0.55 0.23 0.00 0.00 176.35 176.67 1g98 s SER 246 N 1.19 0.03 0.00 2.29 0.15 -0.91 -1.11 113.70 115.34 1g98 s SER 246 Ca -0.05 -1.05 0.05 0.00 0.70 0.00 0.00 55.95 55.59 1g98 s SER 246 Cb -0.19 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1g98 s SER 246 CO -0.06 -1.50 0.46 0.35 1.20 0.00 0.00 173.24 173.68 1g98 n THR 247 N -0.60 0.00 -3.78 6.45 -2.24 -0.67 -2.86 114.28 110.58 1g98 n THR 247 Ca -0.07 -0.45 -0.36 0.00 -2.27 0.00 0.00 64.05 60.90 1g98 n THR 247 Cb 0.60 1.06 -0.11 0.00 -2.10 0.00 0.00 70.33 69.77 1g98 n THR 247 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1g98 s ASN 248 N -0.85 5.18 0.13 3.42 3.84 -1.25 -4.97 114.94 120.45 1g98 s ASN 248 Ca 0.04 -2.33 -0.18 0.00 0.21 0.00 0.00 52.86 50.60 1g98 s ASN 248 Cb 0.04 -1.82 -0.03 0.00 -0.55 0.00 0.00 41.25 38.89 1g98 s ASN 248 CO 0.11 -0.47 1.78 0.71 -2.79 0.00 0.00 177.10 176.45 1g98 h THR 249 N 6.01 1.04 -0.12 -5.21 1.35 -1.96 -2.54 112.91 111.48 1g98 h THR 249 Ca -0.09 -0.12 0.05 0.00 -0.55 0.00 0.00 66.41 65.70 1g98 h THR 249 Cb 1.01 0.67 -0.06 0.00 -1.73 0.00 0.00 68.15 68.04 1g98 h THR 249 CO 0.69 0.06 -0.27 0.00 -0.25 0.00 0.00 175.52 175.76 1g98 h ALA 250 N 1.11 -0.28 -0.54 6.62 0.00 -1.99 -0.40 119.26 123.78 1g98 h ALA 250 Ca 0.11 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1g98 h ALA 250 Cb -0.02 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1g98 h ALA 250 CO -0.04 -0.74 0.25 0.87 0.00 0.00 0.00 179.25 179.60 1g98 h LYS 251 N -0.34 0.47 0.57 0.00 1.79 -1.91 0.30 116.57 117.44 1g98 h LYS 251 Ca 0.10 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.52 1g98 h LYS 251 Cb 0.49 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1g98 h LYS 251 CO -0.32 0.31 -0.35 0.28 -1.08 0.00 0.00 179.45 178.30 1g98 h VAL 252 N 0.49 0.29 -0.88 0.50 2.07 -0.98 -0.70 116.25 117.04 1g98 h VAL 252 Ca 0.25 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.82 1g98 h VAL 252 Cb 0.20 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 1g98 h VAL 252 CO -0.20 0.00 0.58 0.50 0.02 0.00 0.00 177.57 178.47 1g98 h LYS 253 N -0.86 1.02 -0.20 1.57 1.63 -0.92 0.34 116.57 119.15 1g98 h LYS 253 Ca -0.07 -0.06 0.04 0.00 -0.85 0.00 0.00 60.65 59.71 1g98 h LYS 253 Cb 0.70 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 1g98 h LYS 253 CO 0.07 0.68 0.14 1.49 -3.45 0.00 0.00 179.45 178.38 1g98 h GLU 254 N 1.05 0.09 0.00 1.90 4.81 0.11 0.46 114.58 123.00 1g98 h GLU 254 Ca 0.36 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.55 1g98 h GLU 254 Cb 0.10 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1g98 h GLU 254 CO -0.12 0.06 -0.15 0.35 -0.73 0.00 0.00 179.01 178.41 1g98 h PHE 255 N 0.09 0.00 0.00 0.92 3.57 0.59 -3.47 116.94 118.64 1g98 h PHE 255 Ca 0.09 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1g98 h PHE 255 Cb 0.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1g98 h PHE 255 CO -0.00 0.15 0.00 0.41 -2.23 0.00 0.00 178.31 176.64 1g98 n GLY 256 N 0.92 1.83 3.28 2.40 0.00 0.15 -5.11 105.19 108.66 1g98 n GLY 256 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1g98 n GLY 256 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g98 s ILE 257 N -2.00 3.02 0.51 -0.61 1.01 -1.09 -4.69 121.20 117.35 1g98 s ILE 257 Ca 0.00 -0.62 -0.23 0.00 0.00 0.00 0.00 60.65 59.80 1g98 s ILE 257 Cb 0.00 -2.34 -0.06 0.00 0.01 0.00 0.00 42.46 40.07 1g98 s ILE 257 CO 0.00 0.47 1.37 1.51 0.00 0.00 0.00 174.94 178.29 1g98 s ASP 258 N 1.22 5.49 0.46 3.58 3.84 -1.26 -3.47 116.67 126.53 1g98 s ASP 258 Ca 0.02 2.80 0.23 0.00 -0.00 0.00 0.00 52.55 55.60 1g98 s ASP 258 Cb -0.14 -2.64 1.23 0.00 -1.38 0.00 0.00 42.92 39.99 1g98 s ASP 258 CO -0.04 -1.43 1.87 -0.65 -0.00 0.00 0.00 175.17 174.92 1g98 h PRO 259 N 1.75 0.25 0.00 2.11 0.11 -1.96 -0.21 132.00 134.05 1g98 h PRO 259 Ca -0.51 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 1g98 h PRO 259 Cb 1.29 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1g98 h PRO 259 CO 0.59 0.16 -0.16 -0.56 -0.21 0.00 0.00 178.00 177.81 1g98 h GLN 260 N 0.25 0.00 -0.63 1.05 3.07 -2.03 -2.84 115.11 113.98 1g98 h GLN 260 Ca 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 59.17 1g98 h GLN 260 Cb 1.35 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.90 1g98 h GLN 260 CO -0.12 0.16 0.03 0.09 0.09 0.00 0.00 178.83 179.08 1g98 n ASN 261 N -3.39 5.32 -4.34 0.06 5.03 -0.09 -4.87 115.26 112.98 1g98 n ASN 261 Ca -0.00 -2.89 -0.34 0.00 0.87 0.00 0.00 54.58 52.22 1g98 n ASN 261 Cb 0.36 -0.68 -0.14 0.00 -1.02 0.00 0.00 39.78 38.30 1g98 n ASN 261 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 1g98 s MET 262 N -2.65 3.39 -0.33 3.52 1.75 -1.08 -1.63 119.30 122.28 1g98 s MET 262 Ca 0.50 -0.65 -0.08 0.00 -1.25 0.00 0.00 55.69 54.22 1g98 s MET 262 Cb 0.39 -2.85 0.02 0.00 2.84 0.00 0.00 34.83 35.24 1g98 s MET 262 CO 0.14 -0.01 0.13 -0.06 -0.65 0.00 0.00 175.02 174.57 1g98 s PHE 263 N 0.97 3.21 0.28 4.11 0.40 0.16 -4.99 117.98 122.13 1g98 s PHE 263 Ca -0.01 -1.10 0.03 0.00 -0.60 0.00 0.00 56.93 55.26 1g98 s PHE 263 Cb -0.15 -2.32 -0.03 0.00 0.51 0.00 0.00 43.02 41.03 1g98 s PHE 263 CO -0.00 -0.64 0.43 -1.83 0.70 0.00 0.00 175.22 173.88 1g98 s GLU 264 N 1.49 3.46 0.00 0.44 -1.05 -1.25 -2.15 118.70 119.64 1g98 s GLU 264 Ca 0.01 -0.60 0.00 0.00 -0.15 0.00 0.00 54.97 54.23 1g98 s GLU 264 Cb -0.18 -2.80 0.00 0.00 -0.44 0.00 0.00 34.13 30.70 1g98 s GLU 264 CO 0.04 0.32 0.00 1.97 0.95 0.00 0.00 175.26 178.54 1g98 n PHE 265 N -1.56 0.00 -4.46 4.83 -0.00 -1.13 -4.57 117.46 110.56 1g98 n PHE 265 Ca -0.07 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.15 1g98 n PHE 265 Cb 0.57 0.00 -0.10 0.00 -0.00 0.00 0.00 39.48 39.95 1g98 n PHE 265 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 1g98 s TRP 266 N -1.25 1.89 0.48 2.97 0.51 -1.26 -4.54 118.94 117.73 1g98 s TRP 266 Ca 0.00 -1.06 0.16 0.00 -2.12 0.00 0.00 56.10 53.08 1g98 s TRP 266 Cb 0.00 -1.23 1.14 0.00 -0.81 0.00 0.00 33.47 32.57 1g98 s TRP 266 CO 0.00 -0.09 2.06 0.38 -0.51 0.00 0.00 176.95 178.79 1g98 h ASP 267 N 2.03 0.00 0.00 2.95 3.04 -1.97 -1.62 116.42 120.85 1g98 h ASP 267 Ca -0.39 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.40 1g98 h ASP 267 Cb 1.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 1g98 h ASP 267 CO 0.66 0.11 0.00 -2.67 -2.04 0.00 0.00 179.24 175.29 1g98 n TRP 268 N -4.37 0.00 -3.73 4.15 4.27 -1.26 -4.48 117.44 112.02 1g98 n TRP 268 Ca -0.03 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.21 1g98 n TRP 268 Cb 0.18 -0.01 -0.11 0.00 -1.36 0.00 0.00 31.31 30.01 1g98 n TRP 268 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 1g98 s VAL 269 N -1.84 3.63 0.33 -1.67 1.01 -0.61 -1.48 120.40 119.77 1g98 s VAL 269 Ca 0.00 -1.67 -0.28 0.00 0.00 0.00 0.00 61.98 60.04 1g98 s VAL 269 Cb 0.00 -3.30 -0.09 0.00 0.00 0.00 0.00 36.38 32.98 1g98 s VAL 269 CO 0.00 -0.51 1.16 -0.83 0.00 0.00 0.00 175.10 174.91 1g98 s GLY 270 N 1.86 2.98 0.23 4.51 0.00 -1.26 -4.88 107.32 110.76 1g98 s GLY 270 Ca 0.04 0.98 -0.07 0.00 0.00 0.00 0.00 44.72 45.66 1g98 s GLY 270 CO -0.01 1.56 1.69 -1.33 0.00 0.00 0.00 173.10 175.01 1g98 h GLY 271 N 3.33 0.91 0.88 0.20 0.00 -1.95 0.15 103.07 106.59 1g98 h GLY 271 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1g98 h GLY 271 CO 0.65 -0.17 0.00 -0.96 0.00 0.00 0.00 176.54 176.06 1g98 n ARG 272 N -5.15 0.65 -1.08 4.80 1.85 -1.26 -2.00 116.66 114.46 1g98 n ARG 272 Ca 0.12 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 57.01 1g98 n ARG 272 Cb 0.40 -1.44 0.07 0.00 -1.05 0.00 0.00 32.46 30.44 1g98 n ARG 272 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1g98 n TYR 273 N -0.94 0.00 0.92 2.89 4.02 0.40 -4.82 117.16 119.63 1g98 n TYR 273 Ca 0.14 -0.73 0.10 0.00 -0.01 0.00 0.00 57.90 57.40 1g98 n TYR 273 Cb 0.06 -0.16 -0.08 0.00 -0.02 0.00 0.00 39.34 39.14 1g98 n TYR 273 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1g98 n SER 274 N -0.07 1.24 0.26 7.72 3.41 -0.49 -4.44 113.62 121.25 1g98 n SER 274 Ca 0.09 -1.12 0.17 0.00 -0.26 0.00 0.00 58.87 57.75 1g98 n SER 274 Cb 0.96 0.84 0.92 0.00 -0.26 0.00 0.00 64.21 66.66 1g98 n SER 274 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1g98 h LEU 275 N 0.72 0.00 -0.00 1.04 8.10 -1.84 0.62 115.31 123.94 1g98 h LEU 275 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1g98 h LEU 275 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.76 1g98 h LEU 275 CO 0.00 0.00 -0.01 0.79 -4.11 0.00 0.00 178.44 175.11 1g98 n TRP 276 N -2.71 0.00 -1.70 0.17 7.02 -1.26 -3.17 117.44 115.79 1g98 n TRP 276 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 1g98 n TRP 276 Cb 0.09 -0.46 0.00 0.00 -2.42 0.00 0.00 31.31 28.51 1g98 n TRP 276 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1g98 n SER 277 N -1.47 0.12 0.13 -0.99 3.41 0.21 -4.76 113.62 110.28 1g98 n SER 277 Ca 0.08 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.85 1g98 n SER 277 Cb 0.33 0.00 0.71 0.00 -0.26 0.00 0.00 64.21 64.99 1g98 n SER 277 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g98 h ALA 278 N -0.80 2.16 -0.48 7.33 0.00 -1.80 0.22 119.26 125.89 1g98 h ALA 278 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.04 1g98 h ALA 278 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1g98 h ALA 278 CO 0.00 -0.36 0.40 0.82 0.00 0.00 0.00 179.25 180.10 1g98 h ILE 279 N 0.00 0.58 -0.07 0.00 1.08 -1.86 0.58 117.51 117.82 1g98 h ILE 279 Ca 0.13 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.60 1g98 h ILE 279 Cb 0.57 0.71 0.00 0.00 -3.07 0.00 0.00 36.82 35.03 1g98 h ILE 279 CO -0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 1g98 n GLY 280 N -1.57 -0.07 0.32 5.37 0.00 0.07 -4.22 105.19 105.07 1g98 n GLY 280 Ca 0.09 -0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1g98 n GLY 280 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1g98 h LEU 281 N 0.44 0.68 -1.91 0.99 5.85 -1.05 0.17 115.31 120.48 1g98 h LEU 281 Ca 0.00 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1g98 h LEU 281 Cb 0.24 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1g98 h LEU 281 CO 0.01 0.35 -0.09 0.77 -0.34 0.00 0.00 178.44 179.15 1g98 h SER 282 N 0.78 0.00 0.04 1.25 4.64 -1.84 -0.43 113.55 117.99 1g98 h SER 282 Ca 0.44 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1g98 h SER 282 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1g98 h SER 282 CO -0.29 0.09 -0.02 0.40 -0.87 0.00 0.00 176.83 176.14 1g98 h ILE 283 N 0.00 1.29 -0.63 0.95 2.04 -0.99 -2.25 117.51 117.92 1g98 h ILE 283 Ca -0.00 -1.13 0.04 0.00 1.00 0.00 0.00 64.86 64.77 1g98 h ILE 283 Cb 0.17 2.03 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 1g98 h ILE 283 CO 0.01 0.28 0.37 0.00 0.00 0.00 0.00 178.15 178.81 1g98 h ALA 284 N 0.36 0.82 -0.82 1.87 0.00 -0.89 -0.38 119.26 120.22 1g98 h ALA 284 Ca -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1g98 h ALA 284 Cb 0.51 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1g98 h ALA 284 CO 0.01 0.09 0.47 -0.07 0.00 0.00 0.00 179.25 179.75 1g98 h LEU 285 N 0.71 1.00 -0.07 0.00 3.38 -1.13 0.52 115.31 119.72 1g98 h LEU 285 Ca 0.26 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 1g98 h LEU 285 Cb 0.08 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1g98 h LEU 285 CO -0.13 0.78 -0.29 -0.74 0.09 0.00 0.00 178.44 178.16 1g98 h HIS 286 N 1.13 0.43 -0.12 1.13 2.76 -0.71 -3.38 115.15 116.39 1g98 h HIS 286 Ca 0.29 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1g98 h HIS 286 Cb -0.01 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 28.88 1g98 h HIS 286 CO 0.01 0.91 0.00 1.33 -1.30 0.00 0.00 177.93 178.87 1g98 n VAL 287 N -4.45 0.30 0.00 5.26 0.24 -0.23 -4.15 118.33 115.30 1g98 n VAL 287 Ca -0.08 -0.65 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 1g98 n VAL 287 Cb 0.48 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 1g98 n VAL 287 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1g98 n GLY 288 N 0.60 -0.43 0.14 7.63 0.00 0.18 -4.31 105.19 109.00 1g98 n GLY 288 Ca 0.08 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1g98 n GLY 288 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1g98 h PHE 289 N 0.00 0.00 -0.23 1.61 3.57 -1.93 -2.38 116.94 117.58 1g98 h PHE 289 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1g98 h PHE 289 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1g98 h PHE 289 CO 0.00 0.58 0.13 -0.44 -2.23 0.00 0.00 178.31 176.35 1g98 h ASP 290 N 0.00 0.28 0.15 0.41 3.32 -1.94 0.45 116.42 119.10 1g98 h ASP 290 Ca -0.01 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 1g98 h ASP 290 Cb 1.09 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1g98 h ASP 290 CO 0.08 0.26 -0.28 0.78 -1.72 0.00 0.00 179.24 178.35 1g98 h ASN 291 N 0.27 0.21 -0.33 6.45 2.35 -1.73 -1.85 115.58 120.95 1g98 h ASN 291 Ca 0.08 -0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.66 1g98 h ASN 291 Cb 0.03 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1g98 h ASN 291 CO -0.01 0.49 -0.16 0.15 -1.65 0.00 0.00 177.43 176.25 1g98 h PHE 292 N 0.19 0.87 0.00 1.19 3.57 -0.87 -1.30 116.94 120.59 1g98 h PHE 292 Ca 0.03 -0.18 -0.10 0.00 3.53 0.00 0.00 57.97 61.25 1g98 h PHE 292 Cb 0.60 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1g98 h PHE 292 CO 0.01 0.88 -0.47 0.93 -2.23 0.00 0.00 178.31 177.43 1g98 h GLU 293 N 0.70 0.00 -0.39 1.11 5.08 -0.45 -1.47 114.58 119.16 1g98 h GLU 293 Ca 0.11 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 1g98 h GLU 293 Cb 0.65 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1g98 h GLU 293 CO 0.05 0.47 -0.12 1.96 -1.00 0.00 0.00 179.01 180.37 1g98 h GLN 294 N 0.00 0.77 -0.23 2.33 4.20 -0.85 0.25 115.11 121.57 1g98 h GLN 294 Ca -0.00 -0.31 0.03 0.00 0.06 0.00 0.00 58.65 58.43 1g98 h GLN 294 Cb 0.88 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.60 1g98 h GLN 294 CO 0.06 0.92 0.05 1.25 -0.67 0.00 0.00 178.83 180.45 1g98 h LEU 295 N 0.57 0.03 -0.70 1.46 5.85 -0.86 0.13 115.31 121.80 1g98 h LEU 295 Ca 0.09 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1g98 h LEU 295 Cb 0.65 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1g98 h LEU 295 CO 0.04 0.05 0.27 -0.07 -0.34 0.00 0.00 178.44 178.39 1g98 h LEU 296 N 0.15 0.98 -0.98 2.25 3.38 -1.07 -2.77 115.31 117.25 1g98 h LEU 296 Ca 0.11 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1g98 h LEU 296 Cb 0.10 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1g98 h LEU 296 CO -0.13 0.89 0.21 0.28 0.09 0.00 0.00 178.44 179.78 1g98 h SER 297 N 1.01 0.88 -0.64 -0.43 0.02 0.17 -0.96 113.55 113.59 1g98 h SER 297 Ca 0.23 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1g98 h SER 297 Cb 0.23 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1g98 h SER 297 CO -0.02 0.82 0.27 1.23 -1.14 0.00 0.00 176.83 177.99 1g98 h GLY 298 N 1.03 1.02 1.17 -3.77 0.00 -0.52 -0.62 103.07 101.37 1g98 h GLY 298 Ca 0.21 -0.54 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 1g98 h GLY 298 CO -0.01 0.51 -0.09 0.00 0.00 0.00 0.00 176.54 176.95 1g98 h ALA 299 N 1.12 0.84 -0.68 3.60 0.00 -1.21 -2.31 119.26 120.61 1g98 h ALA 299 Ca 0.22 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1g98 h ALA 299 Cb 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1g98 h ALA 299 CO -0.02 0.66 0.26 1.25 0.00 0.00 0.00 179.25 181.40 1g98 h HIS 300 N 0.87 1.01 -0.56 0.00 6.17 -0.78 0.10 115.15 121.97 1g98 h HIS 300 Ca 0.14 -0.07 -0.03 0.00 0.71 0.00 0.00 60.37 61.12 1g98 h HIS 300 Cb 0.64 -0.31 -0.02 0.00 2.52 0.00 0.00 27.41 30.24 1g98 h HIS 300 CO 0.04 0.78 0.22 2.35 0.71 0.00 0.00 177.93 182.03 1g98 h TRP 301 N 0.98 0.85 -0.19 5.26 7.01 -0.83 -1.10 115.95 127.93 1g98 h TRP 301 Ca 0.23 -0.06 -0.11 0.00 2.11 0.00 0.00 58.89 61.06 1g98 h TRP 301 Cb 0.20 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 1g98 h TRP 301 CO 0.02 0.69 -0.35 1.98 -2.79 0.00 0.00 178.44 177.99 1g98 h MET 302 N 0.77 0.39 -0.58 2.65 4.05 -0.89 -1.03 114.93 120.29 1g98 h MET 302 Ca 0.19 -0.17 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1g98 h MET 302 Cb 0.20 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.96 1g98 h MET 302 CO -0.02 0.69 0.28 -0.44 0.23 0.00 0.00 176.91 177.66 1g98 h ASP 303 N 0.34 0.76 -0.52 1.39 3.32 -0.32 -0.60 116.42 120.79 1g98 h ASP 303 Ca 0.04 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.86 1g98 h ASP 303 Cb 0.77 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1g98 h ASP 303 CO 0.06 0.68 -0.05 1.56 -1.72 0.00 0.00 179.24 179.77 1g98 h GLN 304 N 0.79 0.95 -0.50 3.56 4.20 -0.93 -1.23 115.11 121.95 1g98 h GLN 304 Ca 0.20 -0.33 0.03 0.00 0.06 0.00 0.00 58.65 58.61 1g98 h GLN 304 Cb 0.13 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 1g98 h GLN 304 CO -0.02 0.99 0.28 1.25 -0.67 0.00 0.00 178.83 180.66 1g98 h HIS 305 N 0.81 0.53 -0.10 2.96 2.76 -0.89 -0.08 115.15 121.16 1g98 h HIS 305 Ca 0.14 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.25 1g98 h HIS 305 Cb 0.59 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 1g98 h HIS 305 CO 0.04 0.29 -0.29 0.35 -1.30 0.00 0.00 177.93 177.02 1g98 h PHE 306 N 0.56 0.19 0.00 5.26 3.57 -0.90 -2.12 116.94 123.51 1g98 h PHE 306 Ca 0.21 -0.04 -0.25 0.00 3.53 0.00 0.00 57.97 61.42 1g98 h PHE 306 Cb 0.06 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 1g98 h PHE 306 CO -0.08 0.46 -1.38 -0.09 -2.23 0.00 0.00 178.31 174.99 1g98 h ARG 307 N 0.16 0.00 -0.01 1.11 2.43 -0.68 -3.39 114.38 114.00 1g98 h ARG 307 Ca 0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1g98 h ARG 307 Cb 0.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1g98 h ARG 307 CO 0.04 0.73 -0.42 0.25 -1.51 0.00 0.00 179.97 179.07 1g98 n THR 308 N -3.19 0.00 -3.48 0.20 -2.24 -0.09 -5.00 114.28 100.48 1g98 n THR 308 Ca -0.09 -0.29 -0.37 0.00 -2.27 0.00 0.00 64.05 61.03 1g98 n THR 308 Cb 1.00 1.11 -0.06 0.00 -2.10 0.00 0.00 70.33 70.27 1g98 n THR 308 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1g98 s THR 309 N -1.93 5.21 0.23 4.28 2.01 -0.80 -5.04 115.64 119.61 1g98 s THR 309 Ca 0.09 0.72 -0.31 0.00 0.31 0.00 0.00 61.69 62.50 1g98 s THR 309 Cb 0.11 -3.69 -0.14 0.00 0.01 0.00 0.00 72.50 68.79 1g98 s THR 309 CO 0.43 0.43 1.35 -2.65 -0.69 0.00 0.00 174.62 173.49 1g98 n PRO 310 N 3.09 1.84 -0.35 4.92 -0.02 -1.26 -4.64 135.00 138.58 1g98 n PRO 310 Ca -0.11 0.65 0.28 0.00 -2.02 0.00 0.00 63.50 62.30 1g98 n PRO 310 Cb 0.52 -2.27 0.54 0.00 -0.02 0.00 0.00 33.50 32.26 1g98 n PRO 310 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1g98 h LEU 311 N 3.98 0.42 -2.69 2.45 3.38 -1.96 0.14 115.31 121.02 1g98 h LEU 311 Ca -0.45 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1g98 h LEU 311 Cb 1.29 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.20 1g98 h LEU 311 CO 0.74 -0.21 -0.00 1.05 0.09 0.00 0.00 178.44 180.11 1g98 h GLU 312 N 0.21 0.00 0.00 1.13 4.11 -1.98 -2.43 114.58 115.62 1g98 h GLU 312 Ca 0.77 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 60.19 1g98 h GLU 312 Cb 1.97 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.19 1g98 h GLU 312 CO -0.60 0.00 -0.28 1.17 0.07 0.00 0.00 179.01 179.37 1g98 n LYS 313 N -3.50 0.94 -3.24 1.06 4.81 0.44 -5.01 118.16 113.65 1g98 n LYS 313 Ca -0.03 -2.29 -0.43 0.00 -0.87 0.00 0.00 58.31 54.69 1g98 n LYS 313 Cb 0.08 -1.17 -0.08 0.00 0.02 0.00 0.00 35.03 33.88 1g98 n LYS 313 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1g98 s ASN 314 N -2.43 6.25 0.09 3.14 3.84 -0.91 -4.86 114.94 120.05 1g98 s ASN 314 Ca 0.26 -0.45 -0.24 0.00 0.21 0.00 0.00 52.86 52.63 1g98 s ASN 314 Cb 0.24 -2.26 -0.09 0.00 -0.55 0.00 0.00 41.25 38.59 1g98 s ASN 314 CO -0.01 -0.62 1.40 0.00 -2.79 0.00 0.00 177.10 175.08 1g98 h ALA 315 N 8.73 -0.74 -0.43 1.71 0.00 -1.91 -0.52 119.26 126.09 1g98 h ALA 315 Ca -0.26 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1g98 h ALA 315 Cb 1.11 0.92 -0.02 0.00 0.00 0.00 0.00 17.79 19.80 1g98 h ALA 315 CO 0.82 -0.90 0.29 -1.00 0.00 0.00 0.00 179.25 178.46 1g98 h PRO 316 N -0.40 0.50 -0.34 0.00 0.13 -1.93 -1.72 132.00 128.23 1g98 h PRO 316 Ca 0.03 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 65.03 1g98 h PRO 316 Cb 0.48 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 1g98 h PRO 316 CO -0.34 0.33 -0.16 0.28 -0.23 0.00 0.00 178.00 177.88 1g98 h VAL 317 N 0.52 1.29 -0.26 1.56 2.07 -1.77 -1.41 116.25 118.24 1g98 h VAL 317 Ca 0.17 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1g98 h VAL 317 Cb 0.05 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1g98 h VAL 317 CO -0.04 0.41 0.13 -0.07 0.02 0.00 0.00 177.57 178.02 1g98 h LEU 318 N 0.49 0.33 -0.70 2.57 3.38 -0.66 -0.66 115.31 120.06 1g98 h LEU 318 Ca 0.08 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1g98 h LEU 318 Cb 0.69 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1g98 h LEU 318 CO 0.05 0.35 0.44 -0.07 0.09 0.00 0.00 178.44 179.30 1g98 h LEU 319 N 0.29 0.72 -0.04 1.67 3.38 -1.29 -1.38 115.31 118.66 1g98 h LEU 319 Ca 0.09 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1g98 h LEU 319 Cb 0.11 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1g98 h LEU 319 CO -0.01 0.50 0.02 0.00 0.09 0.00 0.00 178.44 179.03 1g98 h ALA 320 N 1.30 0.05 -0.18 1.53 0.00 -0.95 -1.98 119.26 119.03 1g98 h ALA 320 Ca 0.28 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1g98 h ALA 320 Cb 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1g98 h ALA 320 CO -0.11 -0.37 -0.23 0.52 0.00 0.00 0.00 179.25 179.06 1g98 h MET 321 N -0.09 0.33 -0.55 0.00 2.86 -0.96 0.09 114.93 116.60 1g98 h MET 321 Ca 0.01 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.46 1g98 h MET 321 Cb 0.16 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1g98 h MET 321 CO -0.00 0.55 0.03 -0.07 1.06 0.00 0.00 176.91 178.48 1g98 h LEU 322 N 0.30 0.90 -0.54 1.22 3.38 -1.18 -1.14 115.31 118.24 1g98 h LEU 322 Ca 0.05 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1g98 h LEU 322 Cb 0.58 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1g98 h LEU 322 CO 0.04 0.94 0.19 1.23 0.09 0.00 0.00 178.44 180.93 1g98 h GLY 323 N 1.00 0.89 0.72 0.83 0.00 -0.51 -2.29 103.07 103.71 1g98 h GLY 323 Ca 0.17 -0.51 0.05 0.00 0.00 0.00 0.00 47.33 47.03 1g98 h GLY 323 CO 0.02 0.48 0.38 -2.22 0.00 0.00 0.00 176.54 175.20 1g98 h ILE 324 N 0.75 0.99 -0.01 2.60 1.08 -0.59 0.58 117.51 122.92 1g98 h ILE 324 Ca 0.18 -0.24 0.03 0.00 -0.39 0.00 0.00 64.86 64.43 1g98 h ILE 324 Cb 0.25 0.22 -0.04 0.00 -3.07 0.00 0.00 36.82 34.18 1g98 h ILE 324 CO -0.01 0.13 -0.19 -0.25 -0.69 0.00 0.00 178.15 177.14 1g98 h TRP 325 N 0.71 -0.50 -0.36 1.37 -0.00 -0.86 0.24 115.95 116.55 1g98 h TRP 325 Ca 0.29 0.02 -0.13 0.00 -0.00 0.00 0.00 58.89 59.07 1g98 h TRP 325 Cb 0.15 0.22 -0.01 0.00 -0.00 0.00 0.00 29.16 29.52 1g98 h TRP 325 CO -0.07 -0.27 -0.29 1.88 -0.00 0.00 0.00 178.44 179.69 1g98 h TYR 326 N -0.30 0.87 0.22 2.65 0.05 -0.95 -0.92 116.97 118.58 1g98 h TYR 326 Ca 0.06 -0.22 -0.01 0.00 0.05 0.00 0.00 58.73 58.61 1g98 h TYR 326 Cb 0.38 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 37.92 1g98 h TYR 326 CO -0.24 0.95 -0.10 0.82 -1.05 0.00 0.00 178.16 178.53 1g98 h ILE 327 N 0.64 0.50 0.00 -2.88 2.04 -0.69 0.23 117.51 117.34 1g98 h ILE 327 Ca 0.08 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 1g98 h ILE 327 Cb 0.81 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1g98 h ILE 327 CO 0.07 0.13 -0.44 0.78 0.00 0.00 0.00 178.15 178.69 1g98 h ASN 328 N -0.98 0.00 0.00 1.72 -0.26 -0.65 -2.72 115.58 112.70 1g98 h ASN 328 Ca -0.03 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.39 1g98 h ASN 328 Cb 0.44 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.66 1g98 h ASN 328 CO 0.05 0.09 -2.07 0.00 -1.06 0.00 0.00 177.43 174.44 1g98 h PHE 330 N -0.64 0.00 -0.44 0.00 -1.00 -1.19 -3.48 116.94 110.18 1g98 h PHE 330 Ca -0.48 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.19 1g98 h PHE 330 Cb 1.44 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.97 1g98 h PHE 330 CO -0.06 0.00 -0.11 0.41 -1.61 0.00 0.00 178.31 176.94 1g98 n GLY 331 N 1.25 0.56 3.67 -1.45 0.00 0.55 -4.96 105.19 104.80 1g98 n GLY 331 Ca 0.03 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 1g98 n GLY 331 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g98 h GLU 333 N 8.39 0.00 -5.77 0.00 5.08 -1.89 -3.40 114.58 117.00 1g98 h GLU 333 Ca -0.36 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.38 1g98 h GLU 333 Cb 1.16 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.28 1g98 h GLU 333 CO 0.93 0.59 -0.63 0.95 -1.00 0.00 0.00 179.01 179.85 1g98 s THR 334 N -3.60 2.10 -0.08 1.13 -4.23 -1.26 -1.05 115.64 108.65 1g98 s THR 334 Ca -0.01 -2.07 -0.03 0.00 -1.18 0.00 0.00 61.69 58.40 1g98 s THR 334 Cb 0.12 -2.87 0.04 0.00 1.34 0.00 0.00 72.50 71.13 1g98 s THR 334 CO 0.75 -0.08 0.06 -1.58 -0.54 0.00 0.00 174.62 173.24 1g98 s GLN 335 N -3.67 0.00 -0.01 3.99 2.00 -0.47 -4.15 119.66 117.35 1g98 s GLN 335 Ca 0.34 0.24 -0.12 0.00 -2.00 0.00 0.00 55.36 53.82 1g98 s GLN 335 Cb 0.07 -0.89 -0.05 0.00 0.80 0.00 0.00 33.01 32.94 1g98 s GLN 335 CO 0.17 -0.42 0.35 0.00 -0.50 0.00 0.00 175.29 174.90 1g98 s ALA 336 N 2.15 3.74 -0.22 1.58 0.00 -0.33 -2.13 121.76 126.54 1g98 s ALA 336 Ca 0.04 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 51.68 1g98 s ALA 336 Cb -0.13 -2.27 0.05 0.00 0.00 0.00 0.00 23.12 20.76 1g98 s ALA 336 CO -0.05 0.53 -0.10 0.08 0.00 0.00 0.00 175.76 176.22 1g98 s VAL 337 N -1.13 1.81 -0.52 0.00 1.01 -0.07 -0.97 120.40 120.52 1g98 s VAL 337 Ca 0.24 -1.23 0.04 0.00 0.00 0.00 0.00 61.98 61.02 1g98 s VAL 337 Cb -0.15 -1.91 0.14 0.00 0.00 0.00 0.00 36.38 34.45 1g98 s VAL 337 CO 0.12 0.08 0.28 -0.76 0.00 0.00 0.00 175.10 174.83 1g98 s LEU 338 N 1.30 3.98 -0.12 3.92 1.43 0.39 -3.89 118.68 125.70 1g98 s LEU 338 Ca -0.04 -3.03 -0.29 0.00 -1.03 0.00 0.00 54.13 49.74 1g98 s LEU 338 Cb -0.18 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 1g98 s LEU 338 CO -0.07 -0.22 0.98 -2.16 0.23 0.00 0.00 176.35 175.11 1g98 s PRO 339 N -0.28 4.40 -1.33 1.29 0.05 -1.26 -2.18 135.00 135.68 1g98 s PRO 339 Ca 0.18 1.34 -0.08 0.00 0.05 0.00 0.00 61.00 62.49 1g98 s PRO 339 Cb -0.23 -3.55 0.12 0.00 0.05 0.00 0.00 34.50 30.89 1g98 s PRO 339 CO -0.02 -0.33 2.18 0.66 0.05 0.00 0.00 177.00 179.54 1g98 n TYR 340 N 5.09 2.79 -3.48 0.56 4.02 0.11 -1.24 117.16 125.01 1g98 n TYR 340 Ca 0.08 -2.83 0.01 0.00 -0.01 0.00 0.00 57.90 55.15 1g98 n TYR 340 Cb 0.49 -1.98 -0.03 0.00 -0.02 0.00 0.00 39.34 37.80 1g98 n TYR 340 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1g98 s ASP 341 N 0.88 -1.14 0.41 7.72 2.15 -1.25 -4.67 116.67 120.76 1g98 s ASP 341 Ca 0.48 1.28 0.07 0.00 0.43 0.00 0.00 52.55 54.81 1g98 s ASP 341 Cb 0.14 2.19 0.87 0.00 -0.30 0.00 0.00 42.92 45.81 1g98 s ASP 341 CO -0.04 -0.22 2.05 -0.61 -0.17 0.00 0.00 175.17 176.18 1g98 h GLN 342 N 7.96 0.50 0.00 4.34 5.75 -1.85 -1.80 115.11 130.01 1g98 h GLN 342 Ca -0.19 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.23 1g98 h GLN 342 Cb 1.12 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.56 1g98 h GLN 342 CO 0.14 0.35 -0.18 1.88 -2.65 0.00 0.00 178.83 178.36 1g98 h TYR 343 N 0.51 0.00 -0.45 3.99 0.99 -1.91 -2.22 116.97 117.88 1g98 h TYR 343 Ca 0.14 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.64 1g98 h TYR 343 Cb -0.02 0.00 -0.13 0.00 1.00 0.00 0.00 36.73 37.57 1g98 h TYR 343 CO 0.00 0.18 0.29 1.28 -0.00 0.00 0.00 178.16 179.91 1g98 n LEU 344 N -4.22 4.64 0.12 3.88 4.77 -0.68 -2.85 117.00 122.67 1g98 n LEU 344 Ca -0.02 -2.42 0.10 0.00 -0.03 0.00 0.00 56.01 53.63 1g98 n LEU 344 Cb 0.25 -0.65 0.48 0.00 -2.33 0.00 0.00 43.42 41.16 1g98 n LEU 344 CO 0.36 0.73 0.80 0.00 -1.33 0.00 0.00 177.39 177.95 1g98 n HIS 345 N -0.23 0.64 -0.00 -1.77 1.44 -0.84 -1.56 115.22 112.90 1g98 n HIS 345 Ca 0.27 0.30 0.05 0.00 -2.01 0.00 0.00 57.72 56.32 1g98 n HIS 345 Cb 1.03 -0.98 0.10 0.00 0.12 0.00 0.00 29.99 30.26 1g98 n HIS 345 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1g98 n ARG 346 N -2.12 2.18 0.14 -1.40 5.12 -1.26 -4.70 116.66 114.61 1g98 n ARG 346 Ca 0.00 -1.71 -0.14 0.00 -1.93 0.00 0.00 57.85 54.08 1g98 n ARG 346 Cb 0.10 -1.21 -0.08 0.00 -1.16 0.00 0.00 32.46 30.11 1g98 n ARG 346 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1g98 h PHE 347 N 1.70 -0.28 -0.89 -1.55 3.57 -1.63 -0.70 116.94 117.16 1g98 h PHE 347 Ca 0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1g98 h PHE 347 Cb 0.61 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.39 1g98 h PHE 347 CO 0.14 -0.07 0.59 0.00 -2.23 0.00 0.00 178.31 176.74 1g98 h ALA 348 N 0.28 1.14 -0.68 2.41 0.00 -1.84 -2.06 119.26 118.52 1g98 h ALA 348 Ca -0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1g98 h ALA 348 Cb 0.34 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1g98 h ALA 348 CO 0.05 0.51 0.23 0.00 0.00 0.00 0.00 179.25 180.04 1g98 h ALA 349 N 1.34 1.12 -0.23 0.00 0.00 -1.81 0.14 119.26 119.81 1g98 h ALA 349 Ca 0.33 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1g98 h ALA 349 Cb -0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1g98 h ALA 349 CO -0.08 0.61 0.13 -0.92 0.00 0.00 0.00 179.25 178.99 1g98 h TYR 350 N 1.00 0.24 0.00 0.00 3.20 -0.44 -2.32 116.97 118.66 1g98 h TYR 350 Ca 0.22 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.10 1g98 h TYR 350 Cb 0.25 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1g98 h TYR 350 CO 0.02 0.14 0.00 0.74 -1.64 0.00 0.00 178.16 177.42 1g98 h PHE 351 N 0.27 0.00 -0.84 -3.82 -1.00 -1.19 -1.14 116.94 109.22 1g98 h PHE 351 Ca 0.09 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.85 1g98 h PHE 351 Cb 0.00 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.52 1g98 h PHE 351 CO -0.08 0.00 0.45 0.37 -1.61 0.00 0.00 178.31 177.44 1g98 h GLN 352 N 0.00 1.17 0.12 1.51 4.15 -0.42 0.17 115.11 121.82 1g98 h GLN 352 Ca 0.00 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 1g98 h GLN 352 Cb 0.71 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.17 1g98 h GLN 352 CO 0.00 0.86 -0.06 0.37 -1.93 0.00 0.00 178.83 178.07 1g98 h GLN 353 N 1.18 -0.16 -0.78 1.69 4.15 -1.16 -2.78 115.11 117.24 1g98 h GLN 353 Ca 0.30 0.01 0.18 0.00 0.77 0.00 0.00 58.65 59.90 1g98 h GLN 353 Cb 0.03 0.04 -0.12 0.00 0.21 0.00 0.00 27.48 27.65 1g98 h GLN 353 CO -0.05 0.19 0.23 0.78 -1.93 0.00 0.00 178.83 178.05 1g98 h GLY 354 N -0.98 1.15 0.10 2.39 0.00 -1.10 0.71 103.07 105.34 1g98 h GLY 354 Ca -0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 1g98 h GLY 354 CO 0.03 -0.22 -0.05 -1.80 0.00 0.00 0.00 176.54 174.50 1g98 h ASP 355 N 0.30 -0.11 -0.55 0.19 1.82 -0.81 -3.14 116.42 114.12 1g98 h ASP 355 Ca 0.45 -0.07 -0.01 0.00 -0.39 0.00 0.00 57.03 57.02 1g98 h ASP 355 Cb 0.80 0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.81 1g98 h ASP 355 CO -0.52 0.41 0.33 0.24 -1.61 0.00 0.00 179.24 178.09 1g98 h MET 356 N -1.03 0.76 0.00 0.28 2.86 -1.45 0.81 114.93 117.17 1g98 h MET 356 Ca -0.01 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.46 1g98 h MET 356 Cb 0.17 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1g98 h MET 356 CO 0.02 0.55 -0.50 1.49 1.06 0.00 0.00 176.91 179.53 1g98 h GLU 357 N 0.78 0.00 0.00 1.72 4.81 -1.03 -0.89 114.58 119.97 1g98 h GLU 357 Ca 0.20 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1g98 h GLU 357 Cb -0.01 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 1g98 h GLU 357 CO -0.04 0.50 -0.05 0.77 -0.73 0.00 0.00 179.01 179.46 1g98 h SER 358 N 0.00 0.00 -0.59 1.04 0.02 -1.33 -3.40 113.55 109.30 1g98 h SER 358 Ca -0.00 -0.71 0.00 0.00 -0.84 0.00 0.00 61.79 60.24 1g98 h SER 358 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1g98 h SER 358 CO 0.06 0.88 0.00 0.59 -1.14 0.00 0.00 176.83 177.23 1g98 n ASN 359 N -4.65 3.58 -3.90 3.07 3.02 0.21 -4.06 115.26 112.53 1g98 n ASN 359 Ca -0.08 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.05 1g98 n ASN 359 Cb 0.36 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1g98 n ASN 359 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g98 n GLY 360 N 1.24 4.28 3.23 7.41 0.00 -0.34 -1.61 105.19 119.41 1g98 n GLY 360 Ca 0.20 -1.76 -0.15 0.00 0.00 0.00 0.00 46.02 44.30 1g98 n GLY 360 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g98 s LYS 361 N 2.31 1.00 0.00 1.61 -0.14 -1.26 -4.97 119.74 118.30 1g98 s LYS 361 Ca 0.45 -1.34 0.00 0.00 -1.36 0.00 0.00 55.97 53.72 1g98 s LYS 361 Cb 0.11 -0.66 0.00 0.00 -1.68 0.00 0.00 37.83 35.59 1g98 s LYS 361 CO -0.04 0.10 0.54 2.48 -0.76 0.00 0.00 175.35 177.67 1g98 n TYR 362 N 0.12 0.00 -4.98 3.18 0.18 -1.26 -4.71 117.16 109.69 1g98 n TYR 362 Ca -0.13 -0.12 -0.31 0.00 1.88 0.00 0.00 57.90 59.22 1g98 n TYR 362 Cb 0.59 -0.01 -0.17 0.00 -0.38 0.00 0.00 39.34 39.37 1g98 n TYR 362 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1g98 s ILE 363 N -0.25 1.93 0.80 -3.48 -1.09 -1.26 -0.95 121.20 116.89 1g98 s ILE 363 Ca 0.00 -0.93 -0.11 0.00 -2.23 0.00 0.00 60.65 57.37 1g98 s ILE 363 Cb 0.00 -1.69 0.07 0.00 -1.58 0.00 0.00 42.46 39.26 1g98 s ILE 363 CO 0.00 0.53 1.10 0.42 -1.23 0.00 0.00 174.94 175.76 1g98 s THR 364 N 0.52 3.05 0.67 2.92 -4.23 0.11 -4.45 115.64 114.23 1g98 s THR 364 Ca -0.15 0.34 0.43 0.00 -1.18 0.00 0.00 61.69 61.14 1g98 s THR 364 Cb -0.17 -3.09 0.43 0.00 1.34 0.00 0.00 72.50 71.02 1g98 s THR 364 CO 0.05 -0.45 2.33 0.11 -0.54 0.00 0.00 174.62 176.13 1g98 h LYS 365 N -1.09 0.00 -0.01 3.99 1.57 -1.35 0.30 116.57 119.98 1g98 h LYS 365 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1g98 h LYS 365 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1g98 h LYS 365 CO 0.59 0.00 -0.30 -1.13 -0.57 0.00 0.00 179.45 178.04 1g98 n SER 366 N -3.06 1.09 0.00 0.86 3.41 -1.26 -4.94 113.62 109.71 1g98 n SER 366 Ca -0.03 -0.91 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 1g98 n SER 366 Cb 0.10 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1g98 n SER 366 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1g98 n GLY 367 N 1.36 0.59 3.82 5.00 0.00 0.11 -5.08 105.19 110.99 1g98 n GLY 367 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1g98 n GLY 367 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g98 s ALA 368 N -2.17 3.34 0.03 4.61 0.00 -1.26 -4.71 121.76 121.61 1g98 s ALA 368 Ca 0.00 0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.82 1g98 s ALA 368 Cb 0.00 -2.85 -0.05 0.00 0.00 0.00 0.00 23.12 20.22 1g98 s ALA 368 CO 0.00 0.31 1.12 0.50 0.00 0.00 0.00 175.76 177.69 1g98 s ARG 369 N -2.40 4.47 0.66 0.00 6.06 -1.26 0.07 118.95 126.56 1g98 s ARG 369 Ca 0.49 1.64 -0.16 0.00 -2.50 0.00 0.00 55.73 55.20 1g98 s ARG 369 Cb -0.14 -3.40 0.00 0.00 0.06 0.00 0.00 34.95 31.47 1g98 s ARG 369 CO 0.19 -0.20 1.16 0.14 -2.50 0.00 0.00 175.30 174.10 1g98 s VAL 370 N 1.11 2.78 -0.16 7.11 -7.23 -0.13 -4.38 120.40 119.50 1g98 s VAL 370 Ca 0.56 0.40 0.14 0.00 -1.81 0.00 0.00 61.98 61.28 1g98 s VAL 370 Cb -0.26 -2.98 0.40 0.00 0.56 0.00 0.00 36.38 34.09 1g98 s VAL 370 CO 0.28 -0.19 1.20 -0.90 -0.31 0.00 0.00 175.10 175.19 1g98 n ASP 371 N -2.28 1.58 -3.98 4.85 5.75 -1.26 -5.01 116.55 116.20 1g98 n ASP 371 Ca 0.12 -3.42 -0.10 0.00 -0.01 0.00 0.00 54.79 51.39 1g98 n ASP 371 Cb 0.51 -0.47 -0.06 0.00 -1.03 0.00 0.00 41.12 40.07 1g98 n ASP 371 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1g98 s HIS 372 N -2.49 0.41 0.53 2.11 -3.43 -1.26 -5.04 115.29 106.13 1g98 s HIS 372 Ca 0.36 -0.76 -0.19 0.00 -0.80 0.00 0.00 55.06 53.68 1g98 s HIS 372 Cb 0.36 0.04 -0.06 0.00 -1.43 0.00 0.00 32.58 31.48 1g98 s HIS 372 CO -0.08 -0.85 1.06 -0.65 -2.00 0.00 0.00 174.74 172.23 1g98 s GLN 373 N -4.00 3.54 0.00 -0.38 -1.52 -1.26 -5.06 119.66 110.98 1g98 s GLN 373 Ca 0.21 1.36 0.00 0.00 -1.95 0.00 0.00 55.36 54.98 1g98 s GLN 373 Cb 0.02 -2.05 0.00 0.00 -0.22 0.00 0.00 33.01 30.75 1g98 s GLN 373 CO 0.05 -0.65 0.00 0.25 -0.25 0.00 0.00 175.29 174.69 1g98 n THR 374 N -1.40 0.00 -1.47 -0.19 -2.24 -1.26 -4.89 114.28 102.84 1g98 n THR 374 Ca 0.10 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.43 1g98 n THR 374 Cb 0.52 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.74 1g98 n THR 374 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g98 n GLY 375 N 5.00 -1.31 3.95 3.38 0.00 -0.63 -5.00 105.19 110.58 1g98 n GLY 375 Ca 0.00 0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1g98 n GLY 375 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1g98 s PRO 376 N -1.37 2.61 -0.25 1.61 0.04 -1.26 -4.84 135.00 131.54 1g98 s PRO 376 Ca 0.62 -0.55 -0.23 0.00 0.04 0.00 0.00 61.00 60.88 1g98 s PRO 376 Cb -0.72 -2.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 1g98 s PRO 376 CO 0.58 -0.73 0.77 0.42 0.04 0.00 0.00 177.00 178.08 1g98 s ILE 377 N -2.84 4.87 -0.11 0.56 1.01 -0.22 -4.59 121.20 119.89 1g98 s ILE 377 Ca 0.56 1.41 -0.11 0.00 0.00 0.00 0.00 60.65 62.51 1g98 s ILE 377 Cb -0.10 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 1g98 s ILE 377 CO 0.40 -0.06 0.25 -0.69 0.00 0.00 0.00 174.94 174.84 1g98 s VAL 378 N 2.76 5.32 0.26 2.92 1.01 -1.26 -1.37 120.40 130.04 1g98 s VAL 378 Ca 0.32 0.47 -0.19 0.00 0.00 0.00 0.00 61.98 62.58 1g98 s VAL 378 Cb -0.15 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1g98 s VAL 378 CO 0.08 0.52 0.64 -1.66 0.00 0.00 0.00 175.10 174.68 1g98 s TRP 379 N -0.44 -0.04 0.00 5.22 1.48 -0.91 -4.67 118.94 119.58 1g98 s TRP 379 Ca 0.17 -0.38 0.00 0.00 -1.06 0.00 0.00 56.10 54.83 1g98 s TRP 379 Cb -0.13 0.55 0.00 0.00 -1.16 0.00 0.00 33.47 32.72 1g98 s TRP 379 CO 0.06 -1.15 0.00 0.41 -4.06 0.00 0.00 176.95 172.21 1g98 n GLY 380 N -0.43 2.91 2.97 3.67 0.00 -1.26 -0.90 105.19 112.15 1g98 n GLY 380 Ca -0.04 -1.18 -0.11 0.00 0.00 0.00 0.00 46.02 44.69 1g98 n GLY 380 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g98 s GLU 381 N -2.13 0.19 0.64 1.61 0.41 -1.25 -4.70 118.70 113.46 1g98 s GLU 381 Ca 0.00 -0.18 -0.19 0.00 -0.41 0.00 0.00 54.97 54.19 1g98 s GLU 381 Cb 0.00 0.08 -0.02 0.00 -1.78 0.00 0.00 34.13 32.41 1g98 s GLU 381 CO 0.00 -0.03 1.30 -2.30 -0.49 0.00 0.00 175.26 173.74 1g98 n PRO 382 N 2.42 1.20 -3.51 0.39 -0.01 -1.26 -4.39 135.00 129.84 1g98 n PRO 382 Ca -0.17 0.46 -0.23 0.00 -0.01 0.00 0.00 63.50 63.55 1g98 n PRO 382 Cb 0.58 -2.54 -0.01 0.00 -0.01 0.00 0.00 33.50 31.51 1g98 n PRO 382 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 175.50 175.69 1g98 s GLY 383 N -1.32 1.32 0.00 -1.23 0.00 -0.37 -3.71 107.32 102.01 1g98 s GLY 383 Ca 0.81 -1.00 0.28 0.00 0.00 0.00 0.00 44.72 44.81 1g98 s GLY 383 CO 0.41 -0.96 1.79 -1.30 0.00 0.00 0.00 173.10 173.04 1g98 n THR 384 N -1.70 0.00 -0.24 0.90 -2.24 -1.26 -3.92 114.28 105.81 1g98 n THR 384 Ca -0.05 -0.17 0.04 0.00 -2.27 0.00 0.00 64.05 61.59 1g98 n THR 384 Cb 0.56 0.28 0.14 0.00 -2.10 0.00 0.00 70.33 69.21 1g98 n THR 384 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1g98 h ASN 385 N 1.61 -0.36 0.08 3.42 4.21 -1.93 -0.68 115.58 121.93 1g98 h ASN 385 Ca 0.00 0.19 -0.01 0.00 1.21 0.00 0.00 56.30 57.69 1g98 h ASN 385 Cb 0.42 0.34 -0.00 0.00 -1.12 0.00 0.00 38.32 37.95 1g98 h ASN 385 CO 0.00 -0.17 -0.03 1.23 -1.29 0.00 0.00 177.43 177.17 1g98 h GLY 386 N 0.10 0.00 2.00 2.83 0.00 -1.85 -1.52 103.07 104.63 1g98 h GLY 386 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1g98 h GLY 386 CO -0.64 0.00 0.00 1.46 0.00 0.00 0.00 176.54 177.36 1g98 h GLN 387 N 0.00 0.00 -0.28 4.80 4.20 -1.49 -0.67 115.11 121.68 1g98 h GLN 387 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1g98 h GLN 387 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1g98 h GLN 387 CO 0.00 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.88 1g98 n HIS 388 N -3.08 0.34 0.00 2.96 8.25 -0.57 -4.69 115.22 118.43 1g98 n HIS 388 Ca -0.01 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1g98 n HIS 388 Cb 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1g98 n HIS 388 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1g98 n ALA 389 N 1.40 0.00 0.29 -1.41 0.00 -0.34 -4.97 120.51 115.48 1g98 n ALA 389 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.70 1g98 n ALA 389 Cb 0.59 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.41 1g98 n ALA 389 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1g98 n PHE 390 N 0.00 0.41 0.32 0.00 1.16 -1.14 -2.23 117.46 115.97 1g98 n PHE 390 Ca 0.00 0.18 0.21 0.00 -1.87 0.00 0.00 57.45 55.97 1g98 n PHE 390 Cb 0.00 -0.79 1.04 0.00 -1.61 0.00 0.00 39.48 38.12 1g98 n PHE 390 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 1g98 h TYR 391 N 0.00 0.00 -0.61 2.97 -1.99 -1.62 -1.86 116.97 113.87 1g98 h TYR 391 Ca 0.00 0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.80 1g98 h TYR 391 Cb 0.18 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 38.85 1g98 h TYR 391 CO 0.00 0.00 0.30 0.37 -0.00 0.00 0.00 178.16 178.83 1g98 h GLN 392 N 0.00 0.53 -0.05 4.88 5.75 -1.71 0.21 115.11 124.71 1g98 h GLN 392 Ca -0.00 -0.03 -0.18 0.00 -0.15 0.00 0.00 58.65 58.29 1g98 h GLN 392 Cb 0.17 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 1g98 h GLN 392 CO 0.00 0.35 -0.73 1.25 -2.65 0.00 0.00 178.83 177.05 1g98 h LEU 393 N 0.54 0.36 -0.67 -2.39 6.46 -1.58 0.14 115.31 118.18 1g98 h LEU 393 Ca 0.28 -0.24 -0.04 0.00 -0.12 0.00 0.00 57.88 57.77 1g98 h LEU 393 Cb 0.25 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 1g98 h LEU 393 CO -0.22 0.97 0.27 0.40 -0.62 0.00 0.00 178.44 179.24 1g98 h ILE 394 N 0.20 1.24 0.02 4.05 2.04 -1.16 0.28 117.51 124.18 1g98 h ILE 394 Ca -0.03 -0.74 -0.22 0.00 1.00 0.00 0.00 64.86 64.87 1g98 h ILE 394 Cb 1.30 0.48 0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1g98 h ILE 394 CO 0.12 0.30 -0.86 0.45 0.00 0.00 0.00 178.15 178.16 1g98 h HIS 395 N 0.94 0.83 0.00 1.37 3.86 -0.47 -3.40 115.15 118.27 1g98 h HIS 395 Ca 0.22 -0.46 -0.01 0.00 -1.16 0.00 0.00 60.37 58.96 1g98 h HIS 395 Cb 0.20 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.57 1g98 h HIS 395 CO 0.01 1.30 -0.28 1.04 0.86 0.00 0.00 177.93 180.86 1g98 n GLN 396 N -4.02 0.69 -0.21 2.45 6.02 0.49 -4.66 117.38 118.13 1g98 n GLN 396 Ca -0.11 -1.90 0.00 0.00 -0.01 0.00 0.00 57.00 54.98 1g98 n GLN 396 Cb 0.80 -1.01 0.00 0.00 1.02 0.00 0.00 30.24 31.04 1g98 n GLN 396 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1g98 n GLY 397 N -0.72 0.03 0.73 1.08 0.00 0.99 -4.92 105.19 102.38 1g98 n GLY 397 Ca 0.09 -1.81 0.07 0.00 0.00 0.00 0.00 46.02 44.38 1g98 n GLY 397 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1g98 n THR 398 N -0.98 1.80 -5.00 2.61 -2.24 -1.26 -4.99 114.28 104.22 1g98 n THR 398 Ca 0.00 -1.58 -0.32 0.00 -2.27 0.00 0.00 64.05 59.88 1g98 n THR 398 Cb 0.00 0.02 -0.14 0.00 -2.10 0.00 0.00 70.33 68.11 1g98 n THR 398 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1g98 s LYS 399 N -2.16 2.55 -0.13 -0.78 3.01 -1.26 -5.10 119.74 115.86 1g98 s LYS 399 Ca 0.34 -0.76 -0.21 0.00 -1.01 0.00 0.00 55.97 54.32 1g98 s LYS 399 Cb 0.25 -2.32 -0.03 0.00 -1.01 0.00 0.00 37.83 34.72 1g98 s LYS 399 CO 0.10 0.53 0.62 1.41 0.51 0.00 0.00 175.35 178.52 1g98 s MET 400 N -0.50 4.32 -0.29 1.68 -2.45 -1.26 -4.93 119.30 115.88 1g98 s MET 400 Ca 0.06 0.68 -0.01 0.00 -1.25 0.00 0.00 55.69 55.17 1g98 s MET 400 Cb -0.12 -3.50 0.09 0.00 1.25 0.00 0.00 34.83 32.56 1g98 s MET 400 CO 0.01 -0.04 0.08 0.42 1.05 0.00 0.00 175.02 176.55 1g98 s ILE 401 N 1.22 0.79 0.28 10.11 1.01 -1.26 -4.71 121.20 128.63 1g98 s ILE 401 Ca 0.31 -1.23 -0.30 0.00 0.00 0.00 0.00 60.65 59.44 1g98 s ILE 401 Cb -0.16 -1.54 -0.11 0.00 0.01 0.00 0.00 42.46 40.66 1g98 s ILE 401 CO 0.13 -0.59 1.54 -2.84 0.00 0.00 0.00 174.94 173.18 1g98 s PRO 402 N 1.67 4.18 -0.03 2.79 0.02 -1.26 -4.80 135.00 137.57 1g98 s PRO 402 Ca 0.07 2.48 0.05 0.00 0.02 0.00 0.00 61.00 63.62 1g98 s PRO 402 Cb -0.17 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.28 1g98 s PRO 402 CO -0.23 -0.55 -0.17 0.00 -0.33 0.00 0.00 177.00 175.72 1g98 s ASP 404 N -0.16 5.30 -0.17 0.00 1.11 -0.15 -0.97 116.67 121.63 1g98 s ASP 404 Ca 0.01 -0.71 -0.12 0.00 0.18 0.00 0.00 52.55 51.91 1g98 s ASP 404 Cb -0.09 -1.92 -0.05 0.00 1.07 0.00 0.00 42.92 41.92 1g98 s ASP 404 CO 0.01 -0.22 0.22 -0.36 1.18 0.00 0.00 175.17 176.00 1g98 s PHE 405 N 1.53 3.45 0.03 4.23 0.40 0.29 -0.46 117.98 127.45 1g98 s PHE 405 Ca 0.03 0.49 0.05 0.00 -0.60 0.00 0.00 56.93 56.90 1g98 s PHE 405 Cb -0.17 -2.25 -0.02 0.00 0.51 0.00 0.00 43.02 41.09 1g98 s PHE 405 CO 0.04 0.29 -0.14 -0.51 0.70 0.00 0.00 175.22 175.60 1g98 s LEU 406 N 0.31 2.13 -0.20 -0.37 1.02 -0.93 -0.15 118.68 120.51 1g98 s LEU 406 Ca 0.13 -0.41 -0.28 0.00 0.02 0.00 0.00 54.13 53.60 1g98 s LEU 406 Cb -0.12 -0.64 0.10 0.00 0.02 0.00 0.00 46.19 45.55 1g98 s LEU 406 CO 0.02 0.07 0.88 -0.51 0.02 0.00 0.00 176.35 176.83 1g98 s ILE 407 N -0.72 0.00 0.03 -0.59 2.07 -0.63 0.06 121.20 121.43 1g98 s ILE 407 Ca 0.03 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 59.11 1g98 s ILE 407 Cb -0.07 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.46 1g98 s ILE 407 CO 0.01 0.00 0.47 -2.16 -1.91 0.00 0.00 174.94 171.34 1g98 s PRO 408 N -0.38 4.01 0.11 3.50 0.04 -1.26 -2.05 135.00 138.97 1g98 s PRO 408 Ca -0.02 0.52 -0.17 0.00 0.04 0.00 0.00 61.00 61.37 1g98 s PRO 408 Cb -0.03 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 1g98 s PRO 408 CO 0.01 0.67 1.61 0.28 0.04 0.00 0.00 177.00 179.60 1g98 h VAL 409 N 3.60 1.22 -3.18 -0.36 2.07 0.17 -3.42 116.25 116.34 1g98 h VAL 409 Ca -0.51 -0.72 -0.62 0.00 0.82 0.00 0.00 66.70 65.67 1g98 h VAL 409 Cb 1.22 1.08 -0.12 0.00 -1.52 0.00 0.00 31.29 31.94 1g98 h VAL 409 CO 0.62 0.24 -0.51 -1.10 0.02 0.00 0.00 177.57 176.84 1g98 s GLN 410 N -5.32 3.97 0.32 1.57 -0.21 0.27 -5.02 119.66 115.24 1g98 s GLN 410 Ca -0.13 -0.25 -0.05 0.00 0.02 0.00 0.00 55.36 54.95 1g98 s GLN 410 Cb 0.09 -3.30 -0.05 0.00 1.00 0.00 0.00 33.01 30.75 1g98 s GLN 410 CO 0.75 0.38 0.59 -0.08 -2.12 0.00 0.00 175.29 174.80 1g98 s THR 411 N 0.10 5.01 -0.75 -0.19 -1.32 -1.26 -4.41 115.64 112.83 1g98 s THR 411 Ca 0.08 0.03 0.26 0.00 -1.21 0.00 0.00 61.69 60.85 1g98 s THR 411 Cb -0.12 -3.76 0.28 0.00 -1.51 0.00 0.00 72.50 67.39 1g98 s THR 411 CO -0.00 -0.41 1.79 0.00 -2.21 0.00 0.00 174.62 173.78 1g98 n GLN 412 N -1.20 0.24 -3.46 7.08 1.13 -1.26 -4.30 117.38 115.61 1g98 n GLN 412 Ca -0.02 0.20 -0.27 0.00 -1.94 0.00 0.00 57.00 54.98 1g98 n GLN 412 Cb 0.54 -1.78 -0.10 0.00 0.11 0.00 0.00 30.24 29.02 1g98 n GLN 412 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1g98 n HIS 413 N -2.19 0.16 -0.78 1.08 8.25 -1.26 -5.02 115.22 115.46 1g98 n HIS 413 Ca 0.06 -3.57 -0.16 0.00 -0.26 0.00 0.00 57.72 53.78 1g98 n HIS 413 Cb 0.42 -0.03 -0.07 0.00 1.12 0.00 0.00 29.99 31.42 1g98 n HIS 413 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1g98 n PRO 414 N 2.37 1.88 -1.03 -0.41 -0.04 -1.26 -4.91 135.00 131.59 1g98 n PRO 414 Ca 0.27 -1.11 -0.31 0.00 -0.04 0.00 0.00 63.50 62.31 1g98 n PRO 414 Cb 0.46 -2.15 0.13 0.00 -0.04 0.00 0.00 33.50 31.90 1g98 n PRO 414 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1g98 s ILE 415 N 2.25 2.77 -1.49 0.52 -4.36 -1.26 -2.85 121.20 116.80 1g98 s ILE 415 Ca 0.47 0.25 -0.13 0.00 -0.26 0.00 0.00 60.65 60.98 1g98 s ILE 415 Cb 0.18 -2.56 0.09 0.00 1.25 0.00 0.00 42.46 41.42 1g98 s ILE 415 CO -0.02 -0.33 0.76 -1.14 0.24 0.00 0.00 174.94 174.46 1g98 n ARG 416 N -3.86 -4.34 -3.27 0.37 3.00 -1.26 -0.49 116.66 106.81 1g98 n ARG 416 Ca 0.10 0.54 -0.24 0.00 -0.00 0.00 0.00 57.85 58.25 1g98 n ARG 416 Cb 0.53 -5.34 0.02 0.00 0.00 0.00 0.00 32.46 27.67 1g98 n ARG 416 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1g98 n LYS 417 N -4.27 -4.62 -0.74 -0.14 4.76 -1.21 -2.02 118.16 109.91 1g98 n LYS 417 Ca 0.02 0.72 0.00 0.00 -2.87 0.00 0.00 58.31 56.18 1g98 n LYS 417 Cb 0.53 -5.54 0.00 0.00 -1.84 0.00 0.00 35.03 28.18 1g98 n LYS 417 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1g98 n GLY 418 N -1.45 0.69 0.14 0.72 0.00 0.35 -4.97 105.19 100.68 1g98 n GLY 418 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 1g98 n GLY 418 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1g98 h LEU 419 N 0.00 0.21 -0.29 0.99 5.85 -1.36 -1.14 115.31 119.57 1g98 h LEU 419 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1g98 h LEU 419 Cb 0.00 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1g98 h LEU 419 CO 0.00 0.16 0.19 0.45 -0.34 0.00 0.00 178.44 178.90 1g98 h HIS 420 N 0.30 0.36 -0.08 1.25 3.86 -1.85 -2.16 115.15 116.84 1g98 h HIS 420 Ca 0.13 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.26 1g98 h HIS 420 Cb 0.05 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 1g98 h HIS 420 CO -0.10 0.24 -0.34 1.25 0.86 0.00 0.00 177.93 179.84 1g98 h HIS 421 N 0.38 0.18 -0.46 2.45 -0.00 -1.84 -1.26 115.15 114.60 1g98 h HIS 421 Ca 0.10 -0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 60.40 1g98 h HIS 421 Cb -0.03 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 1g98 h HIS 421 CO -0.05 0.48 0.17 -0.22 -0.00 0.00 0.00 177.93 178.31 1g98 h LYS 422 N 0.14 0.70 -0.43 5.26 3.64 -0.92 0.44 116.57 125.40 1g98 h LYS 422 Ca 0.02 -0.14 -0.11 0.00 -1.27 0.00 0.00 60.65 59.15 1g98 h LYS 422 Cb 0.67 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1g98 h LYS 422 CO 0.05 0.65 -0.18 0.82 -2.27 0.00 0.00 179.45 178.52 1g98 h ILE 423 N 0.61 1.27 -0.17 2.00 2.04 -1.08 -0.92 117.51 121.27 1g98 h ILE 423 Ca 0.15 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.71 1g98 h ILE 423 Cb 0.22 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1g98 h ILE 423 CO -0.01 0.44 0.07 0.25 0.00 0.00 0.00 178.15 178.90 1g98 h LEU 424 N 0.74 0.23 -0.80 1.44 5.85 -0.93 -1.78 115.31 120.05 1g98 h LEU 424 Ca 0.11 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1g98 h LEU 424 Cb 0.70 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 1g98 h LEU 424 CO 0.05 0.32 0.48 -0.07 -0.34 0.00 0.00 178.44 178.88 1g98 h LEU 425 N 0.12 0.96 -0.93 2.25 3.38 -0.76 -1.22 115.31 119.10 1g98 h LEU 425 Ca 0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1g98 h LEU 425 Cb 0.16 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1g98 h LEU 425 CO -0.01 0.75 0.54 0.00 0.09 0.00 0.00 178.44 179.81 1g98 h ALA 426 N 1.25 1.18 -0.32 1.53 0.00 -0.93 -1.12 119.26 120.86 1g98 h ALA 426 Ca 0.29 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1g98 h ALA 426 Cb -0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1g98 h ALA 426 CO -0.05 0.66 -0.29 -0.91 0.00 0.00 0.00 179.25 178.66 1g98 h ASN 427 N 1.29 0.81 -0.40 0.00 2.35 -0.98 0.21 115.58 118.86 1g98 h ASN 427 Ca 0.33 -0.46 0.07 0.00 -0.55 0.00 0.00 56.30 55.69 1g98 h ASN 427 Cb -0.02 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 38.06 1g98 h ASN 427 CO -0.06 1.10 0.01 0.15 -1.65 0.00 0.00 177.43 176.98 1g98 h PHE 428 N 0.52 -0.00 -0.06 1.19 3.57 -0.88 -0.57 116.94 120.72 1g98 h PHE 428 Ca 0.05 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1g98 h PHE 428 Cb 0.86 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.66 1g98 h PHE 428 CO 0.07 -0.07 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.93 1g98 h LEU 429 N 0.12 0.19 -1.43 0.59 3.38 -1.12 -3.27 115.31 113.76 1g98 h LEU 429 Ca 0.19 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1g98 h LEU 429 Cb 0.27 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1g98 h LEU 429 CO -0.31 0.67 0.15 0.00 0.09 0.00 0.00 178.44 179.04 1g98 h ALA 430 N 0.52 1.55 0.08 1.53 0.00 -0.79 -2.66 119.26 119.50 1g98 h ALA 430 Ca 0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1g98 h ALA 430 Cb 0.63 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1g98 h ALA 430 CO 0.02 0.35 -0.04 1.96 0.00 0.00 0.00 179.25 181.54 1g98 h GLN 431 N 0.53 -0.10 -0.37 0.00 1.08 -1.18 -1.20 115.11 113.87 1g98 h GLN 431 Ca 0.13 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.29 1g98 h GLN 431 Cb 0.11 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1g98 h GLN 431 CO -0.01 0.21 0.04 1.79 -0.95 0.00 0.00 178.83 179.90 1g98 h THR 432 N -0.42 1.19 -0.33 -0.54 1.35 -1.60 0.17 112.91 112.73 1g98 h THR 432 Ca -0.01 -0.74 -0.01 0.00 -0.55 0.00 0.00 66.41 65.09 1g98 h THR 432 Cb 0.36 0.87 -0.02 0.00 -1.73 0.00 0.00 68.15 67.63 1g98 h THR 432 CO 0.02 0.26 0.15 -0.08 -0.25 0.00 0.00 175.52 175.62 1g98 h GLU 433 N 0.55 0.48 -0.42 4.72 4.81 -1.41 -1.87 114.58 121.45 1g98 h GLU 433 Ca 0.12 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 1g98 h GLU 433 Cb 0.29 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1g98 h GLU 433 CO 0.01 0.45 -0.20 0.00 -0.73 0.00 0.00 179.01 178.54 1g98 h ALA 434 N 1.01 0.87 -0.40 2.92 0.00 -0.68 0.15 119.26 123.12 1g98 h ALA 434 Ca 0.11 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1g98 h ALA 434 Cb 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1g98 h ALA 434 CO -0.01 0.63 0.06 -0.07 0.00 0.00 0.00 179.25 179.86 1g98 h LEU 435 N 0.72 0.56 0.06 0.00 3.38 -0.83 0.34 115.31 119.55 1g98 h LEU 435 Ca 0.10 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1g98 h LEU 435 Cb 0.71 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1g98 h LEU 435 CO 0.05 0.59 -0.03 -0.03 0.09 0.00 0.00 178.44 179.12 1g98 h MET 436 N 0.59 -0.08 -0.11 1.13 4.05 -0.96 -0.62 114.93 118.92 1g98 h MET 436 Ca 0.13 0.01 -0.22 0.00 -0.28 0.00 0.00 59.70 59.34 1g98 h MET 436 Cb 0.29 0.02 0.01 0.00 -0.80 0.00 0.00 31.60 31.12 1g98 h MET 436 CO 0.00 0.50 -0.78 0.87 0.23 0.00 0.00 176.91 177.73 1g98 h LYS 437 N -0.87 0.72 0.00 0.39 1.57 -0.66 -1.92 116.57 115.79 1g98 h LYS 437 Ca -0.01 -0.63 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 1g98 h LYS 437 Cb 0.62 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1g98 h LYS 437 CO 0.01 1.23 0.00 0.41 -0.57 0.00 0.00 179.45 180.54 1g98 n GLY 438 N 0.80 0.10 2.95 3.86 0.00 0.12 -4.64 105.19 108.38 1g98 n GLY 438 Ca -0.08 -0.98 -0.07 0.00 0.00 0.00 0.00 46.02 44.88 1g98 n GLY 438 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1g98 s LYS 439 N 0.00 0.39 1.00 1.61 2.20 0.79 -4.91 119.74 120.82 1g98 s LYS 439 Ca 0.00 0.52 -0.11 0.00 -0.36 0.00 0.00 55.97 56.02 1g98 s LYS 439 Cb 0.00 -0.29 0.19 0.00 -1.51 0.00 0.00 37.83 36.22 1g98 s LYS 439 CO 0.00 -0.72 1.09 -1.54 -0.36 0.00 0.00 175.35 173.81 1g98 s SER 440 N 2.59 2.38 0.27 1.43 1.04 -1.26 -1.08 113.70 119.08 1g98 s SER 440 Ca 0.13 1.76 -0.01 0.00 0.48 0.00 0.00 55.95 58.31 1g98 s SER 440 Cb -0.15 -2.38 0.44 0.00 0.10 0.00 0.00 66.02 64.04 1g98 s SER 440 CO -0.19 -3.37 1.88 0.74 0.98 0.00 0.00 173.24 173.28 1g98 h THR 441 N -2.05 1.06 -0.47 2.02 2.02 -1.96 -0.44 112.91 113.09 1g98 h THR 441 Ca -0.51 -0.39 -0.11 0.00 0.77 0.00 0.00 66.41 66.17 1g98 h THR 441 Cb 1.29 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1g98 h THR 441 CO 0.48 0.21 -0.12 -0.33 0.37 0.00 0.00 175.52 176.13 1g98 h GLU 442 N 1.14 0.91 -0.55 6.66 4.39 -1.98 0.14 114.58 125.28 1g98 h GLU 442 Ca 0.44 -0.35 -0.09 0.00 0.34 0.00 0.00 59.36 59.70 1g98 h GLU 442 Cb 0.21 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1g98 h GLU 442 CO -0.18 1.00 0.01 0.93 -1.16 0.00 0.00 179.01 179.61 1g98 h GLU 443 N 0.76 0.97 -0.42 2.33 5.08 -1.76 -0.66 114.58 120.87 1g98 h GLU 443 Ca 0.12 -0.30 -0.12 0.00 -1.00 0.00 0.00 59.36 58.05 1g98 h GLU 443 Cb 0.67 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1g98 h GLU 443 CO 0.05 0.97 -0.23 0.00 -1.00 0.00 0.00 179.01 178.80 1g98 h ALA 444 N 0.96 0.80 0.12 3.43 0.00 -0.99 -2.29 119.26 121.29 1g98 h ALA 444 Ca 0.16 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1g98 h ALA 444 Cb 0.52 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1g98 h ALA 444 CO 0.03 0.65 -0.06 -0.09 0.00 0.00 0.00 179.25 179.78 1g98 h ARG 445 N 0.74 -0.15 -0.99 0.00 2.43 -0.45 -1.05 114.38 114.92 1g98 h ARG 445 Ca 0.10 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.34 1g98 h ARG 445 Cb 0.77 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.29 1g98 h ARG 445 CO 0.06 -0.02 0.64 0.87 -1.51 0.00 0.00 179.97 180.02 1g98 h LYS 446 N -0.25 1.13 -0.35 0.20 1.57 -1.06 0.74 116.57 118.54 1g98 h LYS 446 Ca -0.02 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1g98 h LYS 446 Cb 0.20 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1g98 h LYS 446 CO 0.03 0.75 0.09 1.49 -0.57 0.00 0.00 179.45 181.24 1g98 h GLU 447 N 1.16 0.56 -0.06 3.15 4.81 -1.19 -2.86 114.58 120.15 1g98 h GLU 447 Ca 0.42 -0.13 -0.15 0.00 -0.13 0.00 0.00 59.36 59.37 1g98 h GLU 447 Cb 0.16 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1g98 h GLU 447 CO -0.16 0.60 -0.63 -0.07 -0.73 0.00 0.00 179.01 178.02 1g98 h LEU 448 N 0.42 0.25 -2.12 1.64 3.38 -0.45 -2.90 115.31 115.53 1g98 h LEU 448 Ca 0.11 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.01 1g98 h LEU 448 Cb 0.29 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1g98 h LEU 448 CO -0.00 0.81 0.30 -0.61 0.09 0.00 0.00 178.44 179.03 1g98 h GLN 449 N 0.16 0.00 -0.09 1.13 5.75 0.69 0.11 115.11 122.86 1g98 h GLN 449 Ca -0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1g98 h GLN 449 Cb 1.14 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.69 1g98 h GLN 449 CO 0.10 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 176.28 1g98 n ALA 450 N -2.34 2.55 0.54 3.38 0.00 -1.10 -3.91 120.51 119.64 1g98 n ALA 450 Ca 0.04 -0.49 0.12 0.00 0.00 0.00 0.00 53.44 53.10 1g98 n ALA 450 Cb 0.44 -1.12 0.16 0.00 0.00 0.00 0.00 19.45 18.93 1g98 n ALA 450 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g98 h ALA 451 N 4.23 0.58 0.00 0.00 0.00 -0.88 -3.48 119.26 119.71 1g98 h ALA 451 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1g98 h ALA 451 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1g98 h ALA 451 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1g98 n GLY 452 N 1.33 0.64 0.00 0.00 0.00 -1.25 -4.98 105.19 100.93 1g98 n GLY 452 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1g98 n GLY 452 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1g98 n LYS 453 N -2.54 0.00 0.00 1.61 4.76 -1.26 -5.08 118.16 115.65 1g98 n LYS 453 Ca 0.00 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1g98 n LYS 453 Cb 0.01 -0.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.66 1g98 n LYS 453 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1g98 n SER 454 N -0.06 0.00 0.00 4.39 3.41 -1.26 -4.85 113.62 115.25 1g98 n SER 454 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1g98 n SER 454 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1g98 n SER 454 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1g98 n PRO 455 N -1.70 0.00 -0.10 4.33 -0.02 -1.26 -0.08 135.00 136.17 1g98 n PRO 455 Ca 0.00 0.23 -0.21 0.00 -2.02 0.00 0.00 63.50 61.50 1g98 n PRO 455 Cb 0.00 -1.57 -0.11 0.00 -0.02 0.00 0.00 33.50 31.81 1g98 n PRO 455 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1g98 n GLU 456 N -1.18 0.56 0.08 -0.52 0.00 -1.26 -3.94 120.64 114.38 1g98 n GLU 456 Ca 0.00 0.56 -0.11 0.00 0.00 0.00 0.00 57.16 57.61 1g98 n GLU 456 Cb 0.07 -1.73 -0.13 0.00 0.00 0.00 0.00 31.44 29.65 1g98 n GLU 456 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1g98 h ASP 457 N -1.00 0.20 -0.17 4.31 3.32 -1.54 -3.00 116.42 118.54 1g98 h ASP 457 Ca -0.34 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 56.42 1g98 h ASP 457 Cb 1.25 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 1g98 h ASP 457 CO -0.20 1.17 -0.13 0.25 -1.72 0.00 0.00 179.24 178.61 1g98 h LEU 458 N 0.04 0.53 0.25 1.55 6.46 -0.72 -3.12 115.31 120.30 1g98 h LEU 458 Ca -0.07 -0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.53 1g98 h LEU 458 Cb 1.87 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 41.66 1g98 h LEU 458 CO 0.16 0.70 -0.12 0.24 -0.62 0.00 0.00 178.44 178.80 1g98 h MET 459 N 0.50 -0.32 0.00 1.25 2.86 -1.67 0.17 114.93 117.72 1g98 h MET 459 Ca 0.09 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1g98 h MET 459 Cb 0.53 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 1g98 h MET 459 CO 0.03 -0.07 -0.03 1.57 1.06 0.00 0.00 176.91 179.48 1g98 h LYS 460 N -0.56 0.00 0.00 1.72 2.10 -1.47 -3.18 116.57 115.18 1g98 h LYS 460 Ca -0.03 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.29 1g98 h LYS 460 Cb 0.41 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.68 1g98 h LYS 460 CO 0.06 0.03 -2.24 -0.11 -2.00 0.00 0.00 179.45 175.18 1g98 n LEU 461 N -3.91 0.54 -0.21 7.07 -0.00 -1.18 -4.76 117.00 114.56 1g98 n LEU 461 Ca -0.03 -0.02 -0.08 0.00 -0.00 0.00 0.00 56.01 55.88 1g98 n LEU 461 Cb 0.11 0.21 -0.07 0.00 -0.00 0.00 0.00 43.42 43.68 1g98 n LEU 461 CO 0.29 0.52 0.49 0.25 -0.00 0.00 0.00 177.39 178.94 1g98 h LEU 462 N 0.00 -1.37 -1.41 -1.96 5.85 -0.93 -1.58 115.31 113.90 1g98 h LEU 462 Ca -0.49 0.20 0.14 0.00 0.84 0.00 0.00 57.88 58.56 1g98 h LEU 462 Cb 2.05 0.59 -0.06 0.00 0.37 0.00 0.00 40.66 43.61 1g98 h LEU 462 CO 0.01 -0.20 0.53 1.55 -0.34 0.00 0.00 178.44 179.99 1g98 h PRO 463 N -0.10 0.58 0.00 5.25 0.13 -1.86 -0.47 132.00 135.53 1g98 h PRO 463 Ca 0.08 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.16 1g98 h PRO 463 Cb 0.32 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.32 1g98 h PRO 463 CO -0.54 0.38 -0.09 0.45 -0.23 0.00 0.00 178.00 177.97 1g98 h HIS 464 N 0.59 0.00 -0.61 1.56 3.86 -1.59 -2.48 115.15 116.48 1g98 h HIS 464 Ca 0.40 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 1g98 h HIS 464 Cb 0.71 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.18 1g98 h HIS 464 CO -0.00 0.09 0.00 1.63 0.86 0.00 0.00 177.93 180.51 1g98 n LYS 465 N -3.50 3.24 -3.67 2.45 5.02 -0.20 -4.94 118.16 116.56 1g98 n LYS 465 Ca -0.02 -2.69 -0.37 0.00 -2.02 0.00 0.00 58.31 53.22 1g98 n LYS 465 Cb 0.24 -1.69 -0.06 0.00 -0.02 0.00 0.00 35.03 33.49 1g98 n LYS 465 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1g98 s VAL 466 N -1.50 5.32 -0.24 -0.18 1.01 -0.93 -4.88 120.40 119.00 1g98 s VAL 466 Ca 0.46 0.46 -0.01 0.00 0.00 0.00 0.00 61.98 62.89 1g98 s VAL 466 Cb 0.27 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 33.13 1g98 s VAL 466 CO 0.25 0.53 -0.08 -0.36 0.00 0.00 0.00 175.10 175.44 1g98 s PHE 467 N -0.48 3.04 -0.14 5.22 0.40 -0.24 -4.94 117.98 120.85 1g98 s PHE 467 Ca 0.17 -1.59 0.29 0.00 -0.60 0.00 0.00 56.93 55.20 1g98 s PHE 467 Cb -0.13 -2.04 1.27 0.00 0.51 0.00 0.00 43.02 42.63 1g98 s PHE 467 CO 0.06 -0.74 1.87 0.93 0.70 0.00 0.00 175.22 178.03 1g98 h GLU 468 N 7.99 0.00 0.00 0.44 5.08 -1.83 0.22 114.58 126.49 1g98 h GLU 468 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1g98 h GLU 468 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1g98 h GLU 468 CO 0.57 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.99 1g98 n GLY 469 N -0.20 1.43 2.37 -3.84 0.00 -1.26 -4.78 105.19 98.91 1g98 n GLY 469 Ca 0.01 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.30 1g98 n GLY 469 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1g98 n ASN 470 N -2.25 -5.50 -4.48 1.61 5.15 -0.72 -4.94 115.26 104.13 1g98 n ASN 470 Ca 0.00 -0.01 -0.43 0.00 -0.60 0.00 0.00 54.58 53.54 1g98 n ASN 470 Cb 0.00 -4.55 -0.08 0.00 -0.53 0.00 0.00 39.78 34.62 1g98 n ASN 470 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1g98 s ARG 471 N -4.93 3.12 0.32 1.20 3.00 -0.29 -4.92 118.95 116.45 1g98 s ARG 471 Ca 0.00 -0.74 -0.28 0.00 0.00 0.00 0.00 55.73 54.70 1g98 s ARG 471 Cb 0.00 -3.99 -0.10 0.00 0.00 0.00 0.00 34.95 30.86 1g98 s ARG 471 CO 0.00 -0.93 1.21 -1.25 0.00 0.00 0.00 175.30 174.32 1g98 s PRO 472 N 2.28 4.42 0.08 3.54 0.04 -1.26 -3.90 135.00 140.20 1g98 s PRO 472 Ca 0.14 2.00 -0.08 0.00 0.04 0.00 0.00 61.00 63.10 1g98 s PRO 472 Cb -0.17 -3.06 -0.00 0.00 0.04 0.00 0.00 34.50 31.30 1g98 s PRO 472 CO 0.14 -0.05 0.17 0.95 0.04 0.00 0.00 177.00 178.25 1g98 s THR 473 N -1.19 0.15 -0.02 1.26 -4.23 -0.65 -3.07 115.64 107.89 1g98 s THR 473 Ca 0.48 -1.20 0.05 0.00 -1.18 0.00 0.00 61.69 59.84 1g98 s THR 473 Cb -0.35 -1.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.16 1g98 s THR 473 CO 0.46 -0.66 -0.17 0.20 -0.54 0.00 0.00 174.62 173.90 1g98 s ASN 474 N -2.77 3.78 -0.18 3.99 0.01 -0.14 -4.05 114.94 115.58 1g98 s ASN 474 Ca 0.04 -0.31 0.00 0.00 -0.71 0.00 0.00 52.86 51.88 1g98 s ASN 474 Cb 0.04 -0.69 0.01 0.00 0.41 0.00 0.00 41.25 41.03 1g98 s ASN 474 CO -0.10 0.32 -0.17 -0.44 -1.51 0.00 0.00 177.10 175.20 1g98 s SER 475 N -0.90 3.38 -0.28 -1.22 0.01 -0.60 -0.55 113.70 113.54 1g98 s SER 475 Ca 0.12 -0.58 -0.01 0.00 1.31 0.00 0.00 55.95 56.79 1g98 s SER 475 Cb -0.10 -1.53 0.04 0.00 0.21 0.00 0.00 66.02 64.64 1g98 s SER 475 CO 0.02 0.01 -0.03 -0.63 0.41 0.00 0.00 173.24 173.02 1g98 s ILE 476 N 1.22 2.88 -0.07 1.44 1.01 0.79 -0.85 121.20 127.63 1g98 s ILE 476 Ca 0.03 -1.30 0.05 0.00 0.00 0.00 0.00 60.65 59.43 1g98 s ILE 476 Cb -0.14 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 1g98 s ILE 476 CO -0.09 -0.01 -0.21 -0.69 0.00 0.00 0.00 174.94 173.94 1g98 s VAL 477 N 1.26 2.40 0.07 2.92 1.01 -0.30 -1.60 120.40 126.16 1g98 s VAL 477 Ca -0.04 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.04 1g98 s VAL 477 Cb -0.19 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1g98 s VAL 477 CO -0.02 0.57 -0.11 0.72 0.00 0.00 0.00 175.10 176.26 1g98 s PHE 478 N -0.15 0.98 0.19 5.22 -0.12 -0.87 0.75 117.98 123.98 1g98 s PHE 478 Ca -0.03 -0.55 -0.16 0.00 -0.05 0.00 0.00 56.93 56.14 1g98 s PHE 478 Cb -0.14 -0.55 0.16 0.00 -0.63 0.00 0.00 43.02 41.85 1g98 s PHE 478 CO 0.04 -0.01 1.64 1.15 -0.05 0.00 0.00 175.22 177.99 1g98 h THR 479 N 4.08 0.47 -1.92 -4.49 2.02 -1.57 0.49 112.91 111.98 1g98 h THR 479 Ca -0.38 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 1g98 h THR 479 Cb 1.19 0.47 -0.20 0.00 -1.74 0.00 0.00 68.15 67.87 1g98 h THR 479 CO 0.45 0.00 0.24 -0.75 0.37 0.00 0.00 175.52 175.83 1g98 s LYS 480 N -6.21 0.93 -1.07 6.66 2.20 -1.26 -0.57 119.74 120.43 1g98 s LYS 480 Ca -0.14 0.39 -0.19 0.00 -0.36 0.00 0.00 55.97 55.67 1g98 s LYS 480 Cb 0.17 0.44 0.10 0.00 -1.51 0.00 0.00 37.83 37.03 1g98 s LYS 480 CO 0.72 -0.26 1.38 -1.17 -0.36 0.00 0.00 175.35 175.66 1g98 s LEU 481 N -0.83 4.39 0.43 5.43 2.96 -1.26 -4.74 118.68 125.05 1g98 s LEU 481 Ca -0.07 -2.11 0.08 0.00 -0.22 0.00 0.00 54.13 51.80 1g98 s LEU 481 Cb -0.01 -2.48 -0.01 0.00 0.50 0.00 0.00 46.19 44.19 1g98 s LEU 481 CO 0.07 -1.15 0.45 0.42 -1.32 0.00 0.00 176.35 174.81 1g98 s THR 482 N 3.42 2.70 0.25 3.68 -4.23 -1.26 -4.91 115.64 115.28 1g98 s THR 482 Ca 0.42 -1.23 -0.04 0.00 -1.18 0.00 0.00 61.69 59.66 1g98 s THR 482 Cb -0.02 -2.93 0.22 0.00 1.34 0.00 0.00 72.50 71.11 1g98 s THR 482 CO -0.05 0.00 1.83 -0.65 -0.54 0.00 0.00 174.62 175.21 1g98 h PRO 483 N 0.87 0.86 0.05 3.99 0.11 -1.92 0.37 132.00 136.32 1g98 h PRO 483 Ca -0.40 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1g98 h PRO 483 Cb 1.27 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1g98 h PRO 483 CO 0.53 0.57 -0.02 0.35 -0.21 0.00 0.00 178.00 179.22 1g98 h PHE 484 N 0.88 -0.06 -0.57 0.65 3.57 -1.87 -1.64 116.94 117.91 1g98 h PHE 484 Ca 0.39 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.83 1g98 h PHE 484 Cb 0.29 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 1g98 h PHE 484 CO -0.04 0.12 0.11 0.82 -2.23 0.00 0.00 178.31 177.08 1g98 h ILE 485 N -0.22 1.24 -0.43 1.41 1.08 -1.76 -1.39 117.51 117.44 1g98 h ILE 485 Ca -0.01 -0.90 -0.02 0.00 -0.39 0.00 0.00 64.86 63.55 1g98 h ILE 485 Cb 0.20 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 1g98 h ILE 485 CO 0.01 0.33 0.20 0.25 -0.69 0.00 0.00 178.15 178.25 1g98 h LEU 486 N 0.85 0.56 -0.90 1.44 5.85 -0.84 -0.68 115.31 121.59 1g98 h LEU 486 Ca 0.18 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.82 1g98 h LEU 486 Cb 0.35 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1g98 h LEU 486 CO 0.00 0.54 0.57 1.23 -0.34 0.00 0.00 178.44 180.44 1g98 h GLY 487 N 0.55 1.33 1.07 3.75 0.00 -0.80 -0.85 103.07 108.13 1g98 h GLY 487 Ca 0.15 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 1g98 h GLY 487 CO -0.02 0.33 -0.08 0.00 0.00 0.00 0.00 176.54 176.77 1g98 h ALA 488 N 1.39 0.73 -0.46 3.60 0.00 -0.85 -2.03 119.26 121.65 1g98 h ALA 488 Ca 0.37 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1g98 h ALA 488 Cb 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1g98 h ALA 488 CO -0.15 0.62 0.19 -0.07 0.00 0.00 0.00 179.25 179.85 1g98 h LEU 489 N 0.87 0.62 -0.13 0.00 3.38 -0.51 -0.24 115.31 119.30 1g98 h LEU 489 Ca 0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1g98 h LEU 489 Cb 0.64 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1g98 h LEU 489 CO 0.04 0.61 0.05 0.40 0.09 0.00 0.00 178.44 179.63 1g98 h ILE 490 N 0.59 1.17 -0.30 1.22 2.04 -1.11 -2.52 117.51 118.61 1g98 h ILE 490 Ca 0.15 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1g98 h ILE 490 Cb 0.17 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1g98 h ILE 490 CO -0.01 0.15 0.16 0.00 0.00 0.00 0.00 178.15 178.45 1g98 h ALA 491 N 0.87 1.73 -0.45 1.87 0.00 -1.26 -0.28 119.26 121.74 1g98 h ALA 491 Ca 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1g98 h ALA 491 Cb 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1g98 h ALA 491 CO -0.00 0.23 0.26 1.98 0.00 0.00 0.00 179.25 181.71 1g98 h MET 492 N 0.41 0.62 -0.01 0.00 1.85 -0.63 -1.40 114.93 115.77 1g98 h MET 492 Ca 0.11 -0.07 -0.17 0.00 -0.61 0.00 0.00 59.70 58.96 1g98 h MET 492 Cb 0.01 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 31.90 1g98 h MET 492 CO -0.02 0.48 -0.77 1.88 -0.40 0.00 0.00 176.91 178.09 1g98 h TYR 493 N 0.59 0.17 -0.87 1.39 0.99 -1.00 -1.80 116.97 116.45 1g98 h TYR 493 Ca 0.16 -0.09 0.01 0.00 2.00 0.00 0.00 58.73 60.81 1g98 h TYR 493 Cb 0.03 -0.02 -0.04 0.00 1.00 0.00 0.00 36.73 37.70 1g98 h TYR 493 CO -0.02 0.84 0.58 0.93 -0.00 0.00 0.00 178.16 180.48 1g98 h GLU 494 N 0.08 1.14 0.00 4.88 5.08 -0.71 -0.86 114.58 124.19 1g98 h GLU 494 Ca -0.02 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 1g98 h GLU 494 Cb 1.35 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1g98 h GLU 494 CO 0.11 0.76 -0.46 0.45 -1.00 0.00 0.00 179.01 178.87 1g98 h HIS 495 N 1.18 0.00 -0.16 4.33 3.86 -1.14 -1.88 115.15 121.34 1g98 h HIS 495 Ca 0.32 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.52 1g98 h HIS 495 Cb -0.13 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 1g98 h HIS 495 CO -0.01 0.46 0.06 -0.22 0.86 0.00 0.00 177.93 179.07 1g98 h LYS 496 N 0.00 0.25 -0.88 2.45 3.64 -0.46 -1.04 116.57 120.52 1g98 h LYS 496 Ca -0.00 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1g98 h LYS 496 Cb 1.13 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.86 1g98 h LYS 496 CO 0.06 0.35 0.56 0.82 -2.27 0.00 0.00 179.45 178.97 1g98 h ILE 497 N 0.09 1.10 0.09 2.00 2.04 -1.05 -2.18 117.51 119.60 1g98 h ILE 497 Ca 0.05 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1g98 h ILE 497 Cb 0.20 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1g98 h ILE 497 CO -0.00 0.19 -0.04 0.15 0.00 0.00 0.00 178.15 178.45 1g98 h PHE 498 N 1.06 -0.12 -0.66 1.37 3.57 -0.99 -2.10 116.94 119.08 1g98 h PHE 498 Ca 0.37 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.90 1g98 h PHE 498 Cb 0.08 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 1g98 h PHE 498 CO -0.02 -0.03 0.39 0.28 -2.23 0.00 0.00 178.31 176.70 1g98 h VAL 499 N -0.17 1.04 -0.73 1.41 2.07 -0.91 -2.08 116.25 116.87 1g98 h VAL 499 Ca -0.01 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 1g98 h VAL 499 Cb 0.14 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1g98 h VAL 499 CO 0.02 0.14 0.21 1.56 0.02 0.00 0.00 177.57 179.52 1g98 h GLN 500 N 0.75 1.14 -0.67 1.57 4.20 -1.30 -1.85 115.11 118.95 1g98 h GLN 500 Ca 0.28 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1g98 h GLN 500 Cb 0.09 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 1g98 h GLN 500 CO -0.14 0.97 0.35 0.78 -0.67 0.00 0.00 178.83 180.12 1g98 h GLY 501 N 1.10 0.99 0.83 3.46 0.00 -0.87 -1.26 103.07 107.33 1g98 h GLY 501 Ca 0.23 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1g98 h GLY 501 CO -0.01 0.43 0.02 -2.08 0.00 0.00 0.00 176.54 174.90 1g98 h VAL 502 N 0.93 1.24 -0.77 4.60 2.07 -0.96 0.14 116.25 123.50 1g98 h VAL 502 Ca 0.23 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 67.00 1g98 h VAL 502 Cb 0.05 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 1g98 h VAL 502 CO -0.04 0.25 0.47 0.58 0.02 0.00 0.00 177.57 178.85 1g98 h VAL 503 N 0.12 1.04 -0.00 2.57 2.07 -0.91 -0.49 116.25 120.65 1g98 h VAL 503 Ca 0.06 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1g98 h VAL 503 Cb 0.36 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1g98 h VAL 503 CO 0.01 0.16 -0.04 0.79 0.02 0.00 0.00 177.57 178.51 1g98 n TRP 504 N -4.67 0.00 -3.42 1.57 8.01 -0.51 -4.70 117.44 113.71 1g98 n TRP 504 Ca 0.10 0.00 -0.24 0.00 -1.31 0.00 0.00 57.50 56.05 1g98 n TRP 504 Cb 0.15 -0.40 0.06 0.00 -2.01 0.00 0.00 31.31 29.12 1g98 n TRP 504 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1g98 n ASP 505 N -1.40 -6.20 -4.83 -0.99 2.03 0.38 -4.85 116.55 100.69 1g98 n ASP 505 Ca 0.10 -0.47 -0.24 0.00 0.52 0.00 0.00 54.79 54.70 1g98 n ASP 505 Cb 0.30 -4.92 -0.04 0.00 -0.72 0.00 0.00 41.12 35.74 1g98 n ASP 505 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1g98 s ILE 506 N -3.27 2.27 -0.53 5.18 -4.36 -0.52 -0.95 121.20 119.01 1g98 s ILE 506 Ca 0.50 -1.52 -0.17 0.00 -0.26 0.00 0.00 60.65 59.19 1g98 s ILE 506 Cb -0.22 -2.79 0.09 0.00 1.25 0.00 0.00 42.46 40.80 1g98 s ILE 506 CO 0.61 0.00 0.55 0.21 0.24 0.00 0.00 174.94 176.56 1g98 s ASN 507 N -4.08 6.18 -0.00 4.36 2.47 -1.26 -4.62 114.94 118.00 1g98 s ASN 507 Ca 0.41 -1.41 0.01 0.00 0.42 0.00 0.00 52.86 52.29 1g98 s ASN 507 Cb -0.00 -2.24 0.04 0.00 -1.45 0.00 0.00 41.25 37.59 1g98 s ASN 507 CO 0.24 -0.88 0.95 -1.20 -3.72 0.00 0.00 177.10 172.49 1g98 n SER 508 N 5.70 0.38 0.00 -4.21 7.64 -1.26 -3.84 113.62 118.03 1g98 n SER 508 Ca -0.11 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 57.76 1g98 n SER 508 Cb 0.43 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1g98 n SER 508 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1g98 n PHE 509 N -0.32 0.00 -3.77 1.43 3.01 -1.26 -4.54 117.46 112.01 1g98 n PHE 509 Ca 0.01 -0.10 -0.24 0.00 1.01 0.00 0.00 57.45 58.13 1g98 n PHE 509 Cb 0.08 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 39.52 1g98 n PHE 509 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1g98 s ASP 510 N -0.20 4.75 -0.47 4.37 1.47 -1.25 -4.97 116.67 120.38 1g98 s ASP 510 Ca 0.00 -1.07 0.05 0.00 1.18 0.00 0.00 52.55 52.71 1g98 s ASP 510 Cb 0.00 0.04 0.26 0.00 -0.34 0.00 0.00 42.92 42.88 1g98 s ASP 510 CO 0.00 -0.94 0.98 0.00 0.68 0.00 0.00 175.17 175.89 1g98 n GLN 511 N -1.68 0.75 0.32 2.11 0.00 -1.26 -4.80 117.38 112.83 1g98 n GLN 511 Ca 0.01 -1.65 0.21 0.00 0.00 0.00 0.00 57.00 55.57 1g98 n GLN 511 Cb 0.63 -1.24 1.10 0.00 0.00 0.00 0.00 30.24 30.73 1g98 n GLN 511 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 1g98 h TRP 512 N 3.68 0.00 0.02 2.61 4.06 -1.98 -0.41 115.95 123.93 1g98 h TRP 512 Ca -0.15 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.59 1g98 h TRP 512 Cb 1.06 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.21 1g98 h TRP 512 CO 0.06 0.00 -0.94 0.78 -3.56 0.00 0.00 178.44 174.78 1g98 h GLY 513 N 0.44 0.16 1.21 1.49 0.00 -1.96 -0.87 103.07 103.54 1g98 h GLY 513 Ca -0.00 -0.32 -0.26 0.00 0.00 0.00 0.00 47.33 46.75 1g98 h GLY 513 CO 0.00 0.28 -0.99 -2.08 0.00 0.00 0.00 176.54 173.75 1g98 h VAL 514 N 0.07 1.28 -0.66 4.60 2.07 -1.56 -2.41 116.25 119.64 1g98 h VAL 514 Ca -0.05 -2.20 -0.07 0.00 0.82 0.00 0.00 66.70 65.21 1g98 h VAL 514 Cb 1.61 2.30 -0.03 0.00 -1.52 0.00 0.00 31.29 33.65 1g98 h VAL 514 CO 0.14 0.68 0.13 -0.33 0.02 0.00 0.00 177.57 178.21 1g98 h GLU 515 N 0.42 1.08 -0.56 1.57 4.39 -1.15 -2.53 114.58 117.80 1g98 h GLU 515 Ca -0.12 -0.28 0.04 0.00 0.34 0.00 0.00 59.36 59.35 1g98 h GLU 515 Cb 1.64 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 30.12 1g98 h GLU 515 CO 0.20 0.98 0.31 1.25 -1.16 0.00 0.00 179.01 180.58 1g98 h LEU 516 N 1.00 0.46 -1.23 1.33 5.85 -1.14 -2.56 115.31 119.02 1g98 h LEU 516 Ca 0.20 0.02 0.10 0.00 0.84 0.00 0.00 57.88 59.04 1g98 h LEU 516 Cb 0.41 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 1g98 h LEU 516 CO 0.01 0.31 0.56 1.23 -0.34 0.00 0.00 178.44 180.21 1g98 h GLY 517 N 0.59 1.24 0.95 3.75 0.00 -1.00 -1.71 103.07 106.89 1g98 h GLY 517 Ca 0.24 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1g98 h GLY 517 CO -0.15 0.20 0.00 0.28 0.00 0.00 0.00 176.54 176.87 1g98 n LYS 518 N -4.53 0.56 0.00 4.80 5.02 -0.96 -2.94 118.16 120.11 1g98 n LYS 518 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1g98 n LYS 518 Cb 0.32 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1g98 n LYS 518 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1g98 n GLN 519 N -0.98 4.05 -0.14 1.97 0.00 -0.67 -4.82 117.38 116.80 1g98 n GLN 519 Ca 0.13 0.00 -0.10 0.00 -0.00 0.00 0.00 57.00 57.03 1g98 n GLN 519 Cb 0.06 -0.61 -0.01 0.00 0.00 0.00 0.00 30.24 29.67 1g98 n GLN 519 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1g98 h LEU 520 N 0.00 0.68 -1.16 1.69 3.38 -1.38 -3.30 115.31 115.22 1g98 h LEU 520 Ca 0.00 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1g98 h LEU 520 Cb 0.00 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1g98 h LEU 520 CO 0.00 0.79 0.24 0.00 0.09 0.00 0.00 178.44 179.56 1g98 h ALA 521 N 0.92 1.34 -0.93 1.53 0.00 -1.88 -3.29 119.26 116.95 1g98 h ALA 521 Ca 0.12 -0.14 0.27 0.00 0.00 0.00 0.00 54.91 55.16 1g98 h ALA 521 Cb 0.41 -0.23 -0.16 0.00 0.00 0.00 0.00 17.79 17.81 1g98 h ALA 521 CO 0.01 0.50 0.21 0.87 0.00 0.00 0.00 179.25 180.84 1g98 h LYS 522 N 0.82 0.11 -0.46 0.00 1.57 -1.91 -1.43 116.57 115.28 1g98 h LYS 522 Ca 0.20 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1g98 h LYS 522 Cb 0.14 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1g98 h LYS 522 CO -0.02 0.08 0.13 -0.22 -0.57 0.00 0.00 179.45 178.84 1g98 h LYS 523 N 0.12 0.73 0.02 3.15 3.64 -1.79 -3.27 116.57 119.16 1g98 h LYS 523 Ca 0.61 -0.17 -0.22 0.00 -1.27 0.00 0.00 60.65 59.60 1g98 h LYS 523 Cb 1.30 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1g98 h LYS 523 CO -0.76 0.71 -0.96 0.82 -2.27 0.00 0.00 179.45 177.00 1g98 h ILE 524 N 0.61 1.46 -0.55 2.00 2.04 -1.50 -3.38 117.51 118.18 1g98 h ILE 524 Ca 0.15 -2.62 0.10 0.00 1.00 0.00 0.00 64.86 63.49 1g98 h ILE 524 Cb 0.30 2.52 -0.11 0.00 -0.74 0.00 0.00 36.82 38.79 1g98 h ILE 524 CO -0.00 0.77 -0.28 -0.08 0.00 0.00 0.00 178.15 178.56 1g98 h GLU 525 N 0.15 -0.14 0.00 2.37 4.81 -1.35 -1.10 114.58 119.33 1g98 h GLU 525 Ca -0.07 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1g98 h GLU 525 Cb 1.60 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.01 1g98 h GLU 525 CO 0.16 -0.09 -0.21 -1.00 -0.73 0.00 0.00 179.01 177.14 1g98 h PRO 526 N -0.14 0.00 0.00 0.92 0.13 -1.74 -2.78 132.00 128.39 1g98 h PRO 526 Ca 0.24 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.36 1g98 h PRO 526 Cb 0.52 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 1g98 h PRO 526 CO -0.63 0.21 -0.05 0.93 -0.23 0.00 0.00 178.00 178.23 1g98 h GLU 527 N 0.00 0.00 0.00 0.86 5.08 -1.39 -3.08 114.58 116.05 1g98 h GLU 527 Ca -0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1g98 h GLU 527 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1g98 h GLU 527 CO 0.03 0.05 -0.34 -0.07 -1.00 0.00 0.00 179.01 177.67 1g98 h LEU 528 N 0.00 0.00 -9.81 1.33 3.38 -1.28 -3.44 115.31 105.49 1g98 h LEU 528 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1g98 h LEU 528 Cb 0.62 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.42 1g98 h LEU 528 CO 0.01 0.34 0.63 -1.81 0.09 0.00 0.00 178.44 177.70 1g98 s ASP 529 N -6.54 6.86 0.00 -0.43 -0.00 -1.17 -4.83 116.67 110.56 1g98 s ASP 529 Ca -0.01 2.56 0.00 0.00 -0.00 0.00 0.00 52.55 55.10 1g98 s ASP 529 Cb 0.12 -2.63 0.00 0.00 -0.00 0.00 0.00 42.92 40.41 1g98 s ASP 529 CO 0.68 -0.49 0.00 0.61 -0.00 0.00 0.00 175.17 175.97 1g98 n GLY 530 N 1.33 0.00 0.63 0.21 0.00 -1.26 -4.77 105.19 101.33 1g98 n GLY 530 Ca 0.02 -1.75 0.11 0.00 0.00 0.00 0.00 46.02 44.40 1g98 n GLY 530 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1g98 n SER 531 N -0.99 2.31 -4.75 1.61 3.41 -1.26 -4.95 113.62 109.00 1g98 n SER 531 Ca 0.00 -1.66 -0.41 0.00 -0.26 0.00 0.00 58.87 56.54 1g98 n SER 531 Cb 0.00 0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 64.24 1g98 n SER 531 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1g98 s SER 532 N -2.27 6.91 0.57 4.04 1.04 -1.26 -4.97 113.70 117.75 1g98 s SER 532 Ca 0.21 2.45 -0.20 0.00 0.48 0.00 0.00 55.95 58.89 1g98 s SER 532 Cb 0.18 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.64 1g98 s SER 532 CO 0.47 -0.49 1.21 -2.16 0.98 0.00 0.00 173.24 173.25 1g98 s PRO 533 N -0.61 3.13 -0.10 4.02 0.04 -1.26 -5.03 135.00 135.18 1g98 s PRO 533 Ca 0.54 1.84 -0.04 0.00 0.04 0.00 0.00 61.00 63.37 1g98 s PRO 533 Cb -0.37 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 1g98 s PRO 533 CO 0.42 -1.08 0.06 0.08 0.04 0.00 0.00 177.00 176.52 1g98 s VAL 534 N -1.58 4.84 0.00 -0.36 1.01 -1.26 -4.99 120.40 118.07 1g98 s VAL 534 Ca 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.68 1g98 s VAL 534 Cb -0.30 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1g98 s VAL 534 CO 0.34 0.61 0.44 0.35 0.00 0.00 0.00 175.10 176.83 1g98 n THR 535 N 2.14 0.11 1.09 3.92 -2.24 -1.26 -4.74 114.28 113.30 1g98 n THR 535 Ca -0.19 -0.14 0.14 0.00 -2.27 0.00 0.00 64.05 61.59 1g98 n THR 535 Cb 0.54 1.19 0.64 0.00 -2.10 0.00 0.00 70.33 70.60 1g98 n THR 535 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1g98 n SER 536 N -0.06 0.00 -2.53 3.42 3.41 -1.26 -4.88 113.62 111.72 1g98 n SER 536 Ca 0.00 0.32 -0.05 0.00 -0.26 0.00 0.00 58.87 58.88 1g98 n SER 536 Cb 0.39 -0.44 -0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1g98 n SER 536 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1g98 n HIS 537 N -1.44 -1.15 -0.99 7.33 8.25 -1.26 -5.11 115.22 120.86 1g98 n HIS 537 Ca 0.09 -0.44 -0.30 0.00 -0.26 0.00 0.00 57.72 56.80 1g98 n HIS 537 Cb 0.30 -0.08 0.15 0.00 1.12 0.00 0.00 29.99 31.48 1g98 n HIS 537 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1g98 s ASP 538 N -1.60 3.25 0.51 0.41 1.47 -1.26 -4.71 116.67 114.74 1g98 s ASP 538 Ca 0.05 1.78 0.15 0.00 1.18 0.00 0.00 52.55 55.72 1g98 s ASP 538 Cb -0.00 -2.39 1.23 0.00 -0.34 0.00 0.00 42.92 41.42 1g98 s ASP 538 CO 0.03 -2.82 2.14 0.77 0.68 0.00 0.00 175.17 175.97 1g98 h SER 539 N -1.68 0.03 0.03 2.11 4.64 -1.98 -1.45 113.55 115.25 1g98 h SER 539 Ca -0.48 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1g98 h SER 539 Cb 1.27 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1g98 h SER 539 CO 0.49 0.03 -0.02 -1.28 -0.87 0.00 0.00 176.83 175.19 1g98 h SER 540 N 0.03 -0.04 -0.72 4.97 0.87 -1.98 0.74 113.55 117.42 1g98 h SER 540 Ca 0.01 -0.44 0.01 0.00 -1.23 0.00 0.00 61.79 60.14 1g98 h SER 540 Cb 0.01 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 61.94 1g98 h SER 540 CO -0.00 0.43 0.48 0.74 -0.53 0.00 0.00 176.83 177.95 1g98 h THR 541 N -0.51 1.17 -0.04 2.23 2.02 -1.86 -0.40 112.91 115.53 1g98 h THR 541 Ca -0.00 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1g98 h THR 541 Cb 0.48 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1g98 h THR 541 CO 0.01 0.18 0.02 0.78 0.37 0.00 0.00 175.52 176.88 1g98 h ASN 542 N 0.97 0.04 -1.00 4.18 -0.26 -1.25 -1.46 115.58 116.80 1g98 h ASN 542 Ca 0.27 -0.03 0.02 0.00 -0.56 0.00 0.00 56.30 56.00 1g98 h ASN 542 Cb -0.10 -0.01 -0.05 0.00 -1.06 0.00 0.00 38.32 37.10 1g98 h ASN 542 CO -0.06 0.06 0.66 1.23 -1.06 0.00 0.00 177.43 178.26 1g98 h GLY 543 N 0.02 1.42 0.93 2.83 0.00 -0.38 -0.24 103.07 107.66 1g98 h GLY 543 Ca 0.01 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 46.73 1g98 h GLY 543 CO -0.00 0.50 -0.16 1.41 0.00 0.00 0.00 176.54 178.28 1g98 h LEU 544 N 1.34 0.68 -0.34 3.11 3.38 -0.96 -1.43 115.31 121.10 1g98 h LEU 544 Ca 0.37 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1g98 h LEU 544 Cb -0.12 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1g98 h LEU 544 CO -0.09 0.95 0.20 0.40 0.09 0.00 0.00 178.44 179.99 1g98 h ILE 545 N 0.42 1.04 -0.10 1.22 2.04 -0.84 -0.65 117.51 120.63 1g98 h ILE 545 Ca 0.07 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.72 1g98 h ILE 545 Cb 0.70 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1g98 h ILE 545 CO 0.05 0.07 -0.26 0.78 0.00 0.00 0.00 178.15 178.79 1g98 h ASN 546 N 0.41 0.17 -0.35 1.72 2.35 -0.97 -0.62 115.58 118.29 1g98 h ASN 546 Ca 0.13 -0.05 -0.17 0.00 -0.55 0.00 0.00 56.30 55.66 1g98 h ASN 546 Cb -0.00 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 1g98 h ASN 546 CO -0.06 0.44 -0.44 0.15 -1.65 0.00 0.00 177.43 175.87 1g98 h PHE 547 N 0.16 1.12 -0.19 1.19 3.57 -0.86 -1.29 116.94 120.64 1g98 h PHE 547 Ca 0.03 -0.36 -0.01 0.00 3.53 0.00 0.00 57.97 61.16 1g98 h PHE 547 Cb 0.55 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1g98 h PHE 547 CO 0.01 1.19 0.10 0.82 -2.23 0.00 0.00 178.31 178.20 1g98 h ILE 548 N 0.72 1.12 -0.87 1.41 2.04 -0.63 -0.22 117.51 121.09 1g98 h ILE 548 Ca 0.04 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1g98 h ILE 548 Cb 1.04 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 1g98 h ILE 548 CO 0.11 0.11 0.49 0.11 0.00 0.00 0.00 178.15 178.97 1g98 h LYS 549 N 0.20 1.20 -0.26 2.37 1.57 -1.06 -0.07 116.57 120.52 1g98 h LYS 549 Ca 0.07 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1g98 h LYS 549 Cb 0.09 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1g98 h LYS 549 CO -0.01 0.87 0.04 0.37 -0.57 0.00 0.00 179.45 180.14 1g98 h GLN 550 N 1.21 0.44 0.00 3.15 4.15 -0.91 -3.25 115.11 119.90 1g98 h GLN 550 Ca 0.31 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.61 1g98 h GLN 550 Cb 0.00 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.64 1g98 h GLN 550 CO -0.05 0.56 -0.15 1.04 -1.93 0.00 0.00 178.83 178.30 1g98 n GLN 551 N -4.67 0.26 -0.34 1.69 1.13 -0.12 -4.31 117.38 111.02 1g98 n GLN 551 Ca -0.03 0.18 0.21 0.00 -1.94 0.00 0.00 57.00 55.42 1g98 n GLN 551 Cb 0.21 -1.77 0.44 0.00 0.11 0.00 0.00 30.24 29.23 1g98 n GLN 551 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1g98 h ARG 552 N 0.00 0.45 -0.01 -1.09 2.43 -1.04 -2.23 114.38 112.88 1g98 h ARG 552 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1g98 h ARG 552 Cb 0.73 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1g98 h ARG 552 CO 0.00 0.30 -0.04 0.39 -1.51 0.00 0.00 179.97 179.11 1g98 n GLU 553 N -4.89 0.87 -1.65 0.20 1.02 -1.26 -5.02 120.64 109.91 1g98 n GLU 553 Ca 0.29 -1.12 -0.46 0.00 -0.02 0.00 0.00 57.16 55.84 1g98 n GLU 553 Cb 0.86 -1.21 -0.03 0.00 -0.02 0.00 0.00 31.44 31.04 1g98 n GLU 553 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1g98 n ALA 554 N 0.53 0.74 1.48 0.62 0.00 -0.84 -5.23 120.51 117.80 1g98 n ALA 554 Ca 0.07 0.44 0.14 0.00 0.00 0.00 0.00 53.44 54.08 1g98 n ALA 554 Cb 0.29 -2.24 0.51 0.00 0.00 0.00 0.00 19.45 18.00 1g98 n ALA 554 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13